2-(7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl)-3-(dimethylamino)acrylonitrile | 942937-93-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl)-3-(dimethylamino)acrylonitrile
• CAS: 942937-93-1
• 化学式: C₂₃H₂₄FN₅
• 分子量: 389.475
• InChiKey: VXIWDXYVWAVMFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.92
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  56.36
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-(7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl)-3-(dimethylamino)acrylonitrile 在 溶剂黄146 、 肼 作用下， 以 乙醇 为溶剂， 以90%的产率得到3-(5-amino-1H-pyrazol-4-yl)-N-cyclopentyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
  参考文献：
  名称：

  Pyrazolo[1,5-a]pyridine antiherpetics: Effects of the C3 substituent on antiviral activity

  摘要：

  A recently disclosed series of pyrazolo[1,5-a]pyridine inhibitors of herpes virus replication has been closely examined herein for effects of the C3 substituent on antiviral activity. Significant changes in activity are observed by alterations of the hetero-atom basicity and orientation of the group at C3. These results in combination with previous studies have served to further elaborate the minimal pharmacophore required for potency of this novel series of antiviral agents. During the course of these studies, several novel synthetic approaches were developed and are described. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.058
• 作为产物：
  描述：

  7-氯-2-(4-氟苯基)吡唑并[1,5-a]吡啶 在 palladium diacetate caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三氟乙酸 作用下， 以 N-甲基吡咯烷酮 、 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 生成 2-(7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl)-3-(dimethylamino)acrylonitrile
  参考文献：
  名称：

  Pyrazolo[1,5-a]pyridine antiherpetics: Effects of the C3 substituent on antiviral activity

  摘要：

  A recently disclosed series of pyrazolo[1,5-a]pyridine inhibitors of herpes virus replication has been closely examined herein for effects of the C3 substituent on antiviral activity. Significant changes in activity are observed by alterations of the hetero-atom basicity and orientation of the group at C3. These results in combination with previous studies have served to further elaborate the minimal pharmacophore required for potency of this novel series of antiviral agents. During the course of these studies, several novel synthetic approaches were developed and are described. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.058