N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-7-(ethylsulfanyl)-2-(4-methoxyphenyl)pyrazolo[1,5-alpha]pyridin-5-amine | 501953-17-9

• 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-(cyclopentylamino)-4-pyrimidinyl]-7-(ethylsulfanyl)-2-(4-methoxyphenyl)pyrazolo[1,5-alpha]pyridin-5-amine
• 英文别名: N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-7-ethylsulfanyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-5-amine
• CAS: 501953-17-9
• 化学式: C₃₀H₃₆N₆OS
• 分子量: 528.721
• InChiKey: NUNVURGNVQIZTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  二乙基二硫醚 、 N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-2-(4-methoxyphenyl)-pyrazolo[1,5-a]pyridin-5-amine 在 正丁基锂 作用下， 生成 N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-7-(ethylsulfanyl)-2-(4-methoxyphenyl)pyrazolo[1,5-alpha]pyridin-5-amine
  参考文献：
  名称：

  Pyrazolopyridines with potent activity against herpesviruses: Effects of C5 substituents on antiviral activity

  摘要：

  Synthesis of a series of 5-substituted as well as 5,7-disubstituted 3-[2-(cyclopentylamino)-4-pyrimidinyl]-2-phenylpyrazolo [1,5-a]pyridin-7-amines 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 to or better than acyclovir are described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.120

文献信息

• Pyrazolo-pyridines for the treatment of herpes infections
  申请人：——

  公开号：US20040214834A1

  公开（公告）日：2004-10-28

  The present invention provides compounds of formula (I): 1 wherein all variables are as defined herein, pharmaceutical compositions containing the same, processes for preparing the same and their use as pharmaceutical agents.

  本发明提供公式（I）的化合物：1其中所有变量的定义如此，包含它们的制药组合物，制备它们的过程以及它们作为制药剂的用途。
• PYRAZOLO-PYRIDINES FOR THE TREATMENT OF HERPES INFECTIONS
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1423389B1

  公开（公告）日：2007-06-06