1,1-Dimethylethyl 4-(1-methyl-1H-indazol-3-yl)-1-piperidinecarboxylate | 1228631-16-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 1,1-Dimethylethyl 4-(1-methyl-1H-indazol-3-yl)-1-piperidinecarboxylate
• 英文别名: tert-butyl 4-(1-methylindazol-3-yl)piperidine-1-carboxylate
• CAS: 1228631-16-0
• 化学式: C₁₈H₂₅N₃O₂
• 分子量: 315.4
• InChiKey: RTEOGTZWOJBCAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1-Dimethylethyl 4-(1-methyl-1H-indazol-3-yl)-1-piperidinecarboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以0.88 g的产率得到1-methyl-3-(piperidin-4-yl)-1H-indazole
  参考文献：
  名称：

  HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS

  摘要：

  The present invention relates to heteroaromatic compounds of formula (I), or their isotopic forms, stereoisomers, or pharmaceutically acceptable salts thereof as antagonist at serotonin 5-HT2Areceptor and agonist at serotonin 5-HT1Areceptor. The present invention also describes methods of making such compounds, pharmaceutical compositions comprising such compounds, and their use in the treatment of CNS disorders.

  公开号：

  WO2024042480A1
• 作为产物：
  描述：

  1-Boc-4-哌啶甲酸 在 正丁基锂 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 21.0h， 生成 1,1-Dimethylethyl 4-(1-methyl-1H-indazol-3-yl)-1-piperidinecarboxylate
  参考文献：
  名称：

  HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS

  摘要：

  The present invention relates to heteroaromatic compounds of formula (I), or their isotopic forms, stereoisomers, or pharmaceutically acceptable salts thereof as antagonist at serotonin 5-HT2Areceptor and agonist at serotonin 5-HT1Areceptor. The present invention also describes methods of making such compounds, pharmaceutical compositions comprising such compounds, and their use in the treatment of CNS disorders.

  公开号：

  WO2024042480A1

文献信息

• HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS
  申请人：[en]SUVEN LIFE SCIENCES LIMITED

  公开号：WO2024042480A1

  公开（公告）日：2024-02-29

  The present invention relates to heteroaromatic compounds of formula (I), or their isotopic forms, stereoisomers, or pharmaceutically acceptable salts thereof as antagonist at serotonin 5-HT2Areceptor and agonist at serotonin 5-HT1Areceptor. The present invention also describes methods of making such compounds, pharmaceutical compositions comprising such compounds, and their use in the treatment of CNS disorders.