ethyl 4-(7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl)pyridazine-1(4H)-carboxylate | 942937-51-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 4-(7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl)pyridazine-1(4H)-carboxylate
• CAS: 942937-51-1
• 化学式: C₂₀H₁₆ClFN₄O₂
• 分子量: 398.824
• InChiKey: SDTYZXMSEAQUIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  28.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  59.2
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ethyl 4-(7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl)pyridazine-1(4H)-carboxylate 在 palladium diacetate lithium hydroxide 、 氧气 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 N-cyclopentyl-2-(4-fluorophenyl)-3-pyridazin-4-ylpyrazolo[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：

  哒嗪 、 氯甲酸乙酯 、 7-氯-2-(4-氟苯基)吡唑并[1,5-a]吡啶 以 二氯甲烷 为溶剂， 生成 ethyl 4-(7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl)pyridazine-1(4H)-carboxylate 、
  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