4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]morpholine-3-carboxylic acid | 1427631-04-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]morpholine-3-carboxylic acid
• 英文别名: 4-[1-(4-Chlorophenyl)pyrazolo[3,4-c]pyridin-3-yl]morpholine-3-carboxylic acid；4-[1-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-3-yl]morpholine-3-carboxylic acid
• CAS: 1427631-04-6
• 化学式: C₁₇H₁₅ClN₄O₃
• 分子量: 358.784
• InChiKey: CFRTYEIPUSBPKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  80.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-叔丁氧羰基-1,2-乙二胺 、 4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]morpholine-3-carboxylic acid 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 、 盐酸 作用下， 以 N,N-二甲基甲酰胺 、 乙醇 、 水 为溶剂， 反应 4.5h， 以4%的产率得到N-(2-aminoethyl)-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]morpholine-3-carboxamide
  参考文献：
  名称：

  [EN] NEW ENZYME INHIBITOR COMPOUNDS
  [FR] NOUVEAUX COMPOSÉS INHIBITEURS ENZYMATIQUES

  摘要：

  2- {4- [1- (4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}乙基-1-胺; 3-氨基丙基4- [1- (4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-羧酸酯; 1- {4- [1- (4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}-4- (二甲基氨基)丁酮; 5-氨基-1- {4- [1- (4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3- 基]哌啶-1-基}戊酮; N- (2-氨基乙基)-4- [1- (4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-羧酰胺; N- (3-氨基丙基)-4- [1- (4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-羧酰胺; 4- [1- (4-氯苯基)-1H-吡咯并[2,3- c]吡啶-3-基]-N- [3- (二甲基氨基)丙基]哌啶-1-羧酰胺; 1- ({4- [1- (4- 氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}羰基)哌嗪; 4- ({4- [1- (4- 氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}羰基)吗啉; 1- ({4- [1- (4- 氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}羰基)-1,4-二氮杂辛烷; 乙基1- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4-羧酸酯; 乙基1- [1- (4- 甲基苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4-羧酸酯; 1- [1- (4- 氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4-羧酸; N- (2-氨基乙基)-1- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4-羧酰胺; 4- ({1- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4- 基}羰基)吗啉; 1- ({1- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶- 4-基}羰基)哌嗪; {4- [1- (4-甲基苯基)-1H-吡唑并[3,4-c]吡啶-3-基]吗啉- 3-基}甲醇; {4- [1- (4-甲基苯基)-1H-吡唑并[3,4-c]吡啶-3-基]吗啉-2-基}甲醇; [(3R)-4- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]吗啉-3- 基]甲醇; 甲基4- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]吗啉-3-羧酸酯; N- (2-氨基乙基)-4- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3- 基]吗啉-3-羧酰胺; 2- {4- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3- 基]吗啉-3-基}乙基-1-醇; 甲基1- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3- 基]哌啶-2-羧酸酯; N- (2-氨基乙基)-1- [1- (4-氯苯基)-1H-吡唑并[3,4- c]吡啶-3-基]哌啶-2-羧酰胺; 1- ({1- [1- (4-氯苯基)-1H-吡唑并[3,4- c]吡啶-3-基]哌啶-2-基}羰基)哌嗪; 4- [1- (4-甲基苯基)-1H-吡咯并[2,3- c]吡啶-3-基]吗啉; 1- (4-氯苯基)-3- (哌啶-4-基)-1H-吡咯并[2,3-c]吡啶-4- 醇; N-丁基-1- (4-氯苯基)-N-甲基-1H-吡唑并[3,4-c]吡啶-3-胺; 1- [4- (氟甲基)苯基]-3- (氧杂环丁基)-1H-吡咯并[3,4-c]吡啶; 和3- ({4- [1- (4- 氯苯基)-1H-吡咯并[3,4-c]吡啶-3-基]哌啶-1-基}甲基)吡啶对于抑制SSAO活性是有用的。

  公开号：

  WO2013037411A1
• 作为产物：
  描述：

  methyl 4-{1H-pyrazolo[3,4-c]pyridin-3-yl}morpholine-3-carboxylate 在 吡啶 、 水 、 copper diacetate 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 反应 3.0h， 生成 4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]morpholine-3-carboxylic acid
  参考文献：
  名称：

  [EN] NEW ENZYME INHIBITOR COMPOUNDS
  [FR] NOUVEAUX COMPOSÉS INHIBITEURS ENZYMATIQUES

  摘要：

  2- {4- [1- (4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}乙基-1-胺; 3-氨基丙基4- [1- (4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-羧酸酯; 1- {4- [1- (4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}-4- (二甲基氨基)丁酮; 5-氨基-1- {4- [1- (4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3- 基]哌啶-1-基}戊酮; N- (2-氨基乙基)-4- [1- (4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-羧酰胺; N- (3-氨基丙基)-4- [1- (4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-羧酰胺; 4- [1- (4-氯苯基)-1H-吡咯并[2,3- c]吡啶-3-基]-N- [3- (二甲基氨基)丙基]哌啶-1-羧酰胺; 1- ({4- [1- (4- 氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}羰基)哌嗪; 4- ({4- [1- (4- 氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}羰基)吗啉; 1- ({4- [1- (4- 氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}羰基)-1,4-二氮杂辛烷; 乙基1- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4-羧酸酯; 乙基1- [1- (4- 甲基苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4-羧酸酯; 1- [1- (4- 氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4-羧酸; N- (2-氨基乙基)-1- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4-羧酰胺; 4- ({1- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4- 基}羰基)吗啉; 1- ({1- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶- 4-基}羰基)哌嗪; {4- [1- (4-甲基苯基)-1H-吡唑并[3,4-c]吡啶-3-基]吗啉- 3-基}甲醇; {4- [1- (4-甲基苯基)-1H-吡唑并[3,4-c]吡啶-3-基]吗啉-2-基}甲醇; [(3R)-4- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]吗啉-3- 基]甲醇; 甲基4- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]吗啉-3-羧酸酯; N- (2-氨基乙基)-4- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3- 基]吗啉-3-羧酰胺; 2- {4- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3- 基]吗啉-3-基}乙基-1-醇; 甲基1- [1- (4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3- 基]哌啶-2-羧酸酯; N- (2-氨基乙基)-1- [1- (4-氯苯基)-1H-吡唑并[3,4- c]吡啶-3-基]哌啶-2-羧酰胺; 1- ({1- [1- (4-氯苯基)-1H-吡唑并[3,4- c]吡啶-3-基]哌啶-2-基}羰基)哌嗪; 4- [1- (4-甲基苯基)-1H-吡咯并[2,3- c]吡啶-3-基]吗啉; 1- (4-氯苯基)-3- (哌啶-4-基)-1H-吡咯并[2,3-c]吡啶-4- 醇; N-丁基-1- (4-氯苯基)-N-甲基-1H-吡唑并[3,4-c]吡啶-3-胺; 1- [4- (氟甲基)苯基]-3- (氧杂环丁基)-1H-吡咯并[3,4-c]吡啶; 和3- ({4- [1- (4- 氯苯基)-1H-吡咯并[3,4-c]吡啶-3-基]哌啶-1-基}甲基)吡啶对于抑制SSAO活性是有用的。

  公开号：

  WO2013037411A1

文献信息

• NEW ENZYME INHIBITOR COMPOUNDS
  申请人：Evans David

  公开号：US20140357623A1

  公开（公告）日：2014-12-04

  2-4-[1-(4-chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl}ethan-1-amine; 3-aminopropyl 4-[1-(4-chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate; 1-4-[1-(4-chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl}-4-(dimethylamino)butan-1-one; 5-amino-1-4-[1-(4-chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl}pentan-1-one; N-(2-aminoethyl)-4-[1-(4-chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide; N-(3-aminopropyl)-4-[1-(4-chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide; 4-[1-(4-chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-N-[3-(dimethylamino)propyl]piperidine-1-carboxamide; 1-(4-[1-(4-chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl}carbonyl)piperazine; 4-(4-[1-(4-chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl}carbonyl)morpholine; 1-(4-[1-(4-chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl}carbonyl)-1,4-diazepane; ethyl 1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]piperidine-4-carboxylate; ethyl 1-[1-(4-methylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]piperidine-4-carboxylate; 1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]piperidine-4-carboxylic acid; N-(2-aminoethyl)-1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]piperidine-4-carboxamide; 4-(1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]piperidin-4 yl}carbonyl)morpholine; 1-(1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]piperidin-4-yl}carbonyl)piperazine; 4-[1-(4-methylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]morpholin-3-yl}methanol; 4-[1-(4-methyl-phenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]morpholin-2-yl}methanol; [(3R)-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]morpholin-3-yl]methanol; methyl 4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]morpholine-3-carboxylate; N-(2-aminoethyl)-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]morpholine-3-carboxamide; 2-4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]morpholin-3-yl}ethan-1-ol; methyl 1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]piperidine-2-carboxylate; N-(2-aminoethyl)-1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]piperidine-2-carboxamide; 1-(1-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]piperidin-2-yl}carbonyl)piperazine; 4-[1-(4-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]morpholine; 1-(4-chlorophenyl)-3-(piperidin-4-yl)-1H-pyrrolo[2,3-c]pyridin-4-ol; N-butyl-1-(4-chlorophenyl)-N-methyl-1H-pyrazolo[3,4-c]pyridin-3-amine; 1-[4-(fluoromethyl)phenyl]-3-(oxan-4-yl)-1H-pyrazolo[3,4-c]pyridine; and 3-(4-[1-(4-chlorophenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]piperidin-1-yl}methyl)pyridine are useful for the inhibition of SSAO activity.

  2-4-[1-(4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}乙基-1-胺; 3-氨基丙基 4-[1-(4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-羧酸酯; 1-4-[1-(4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}-4-(二甲基氨基)丁酮; 5-氨基-1-4-[1-(4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}戊酮; N-(2-氨基乙基)-4-[1-(4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-羧酰胺; N-(3-氨基丙基)-4-[1-(4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-羧酰胺; 4-[1-(4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]-N-[3-(二甲胺基)丙基]哌啶-1-羧酰胺; 1-(4-[1-(4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}羰基)哌嗪; 4-(4-[1-(4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}羰基)吗啉; 1-(4-[1-(4-氯苯基)-1H-吡咯并[2,3-c]吡啶-3-基]哌啶-1-基}羰基)-1,4-二氮杂环庚烷; 乙酸乙酯 1-[1-(4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4-羧酸酯; 乙酸乙酯 1-[1-(4-甲基苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4-羧酸酯; 1-[1-(4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4-羧酸; N-(2-氨基乙基)-1-[1-(4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4-羧酰胺; 4-(1-[1-(4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4-基}羰基)吗啉; 1-(1-[1-(4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-4-基}羰基)哌嗪; 4-[1-(4-甲基苯基)-1H-吡唑并[3,4-c]吡啶-3-基]吗啉-3-基}甲醇; 4-[1-(4-甲基-苯基)-1H-吡唑并[3,4-c]吡啶-3-基]吗啉-2-基}甲醇; [(3R)-4-[1-(4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]吗啉-3-基]甲醇; 甲酸甲酯 4-[1-(4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]吗啉-3-羧酸酯; N-(2-氨基乙基)-4-[1-(4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]吗啉-3-羧酰胺; 2-4-[1-(4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]吗啉-3-基}乙基-1-醇; 甲酸甲酯 1-[1-(4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-2-羧酸酯; N-(2-氨基乙基)-1-[1-(4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-2-羧酰胺; 1-(1-[1-(4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-2-基}羰基)哌嗪; 4-[1-(4-甲基苯基)-1H-吡咯并[2,3-c]吡啶-3-基]吗啉; 1-(4-氯苯基)-3-(哌啶-4-基)-1H-吡咯并[2,3-c]吡啶-4-醇; N-丁基-1-(4-氯苯基)-N-甲基-1H-吡唑并[3,4-c]吡啶-3-胺; 1-[4-(氟甲基)苯基]-3-(氧杂环丁基)-1H-吡唑并[3,4-c]吡啶; 和3-(4-[1-(4-氯苯基)-1H-吡唑并[3,4-c]吡啶-3-基]哌啶-1-基}甲基)吡啶可用于抑制SSAO活性。
• US9150574B2
  申请人：——

  公开号：US9150574B2

  公开（公告）日：2015-10-06