N-cyclopentyl-3-(2-fluoropyridin-4-yl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine | 1194049-78-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-cyclopentyl-3-(2-fluoropyridin-4-yl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
• CAS: 1194049-78-9
• 化学式: C₂₃H₂₂FN₅O
• 分子量: 403.459
• InChiKey: AQZBTRGZIVRNRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.96
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  64.34
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-cyclopentyl-3-(2-fluoropyridin-4-yl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine 、 环戊胺 反应 48.0h， 以27%的产率得到N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
  参考文献：
  名称：

  Pyrazolopyrimidines and pyrazolotriazines with potent activity against herpesviruses

  摘要：

  Synthesis of several pyrazolo[1,5-c]pyrimidines, pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][ 1,3,5]triazines with potent activity against herpes simplex viruses is described. Synthetic approaches allowing for variation of the substitution pattern are outlined and resulting changes in antiviral activity are highlighted. Several compounds with in vitro antiviral activity similar or better than acyclovir are described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.009
• 作为产物：
  描述：

  3-bromo-N-cyclopentyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine 、 2-氟-4-吡啶硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以32%的产率得到N-cyclopentyl-3-(2-fluoropyridin-4-yl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
  参考文献：
  名称：

  Pyrazolopyrimidines and pyrazolotriazines with potent activity against herpesviruses

  摘要：

  Synthesis of several pyrazolo[1,5-c]pyrimidines, pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][ 1,3,5]triazines with potent activity against herpes simplex viruses is described. Synthetic approaches allowing for variation of the substitution pattern are outlined and resulting changes in antiviral activity are highlighted. Several compounds with in vitro antiviral activity similar or better than acyclovir are described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.009