(2-chloro-3-methylphenyl)-[(1S,8R)-5-pyrimidin-2-yl-10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-dien-12-yl]methanone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2-chloro-3-methylphenyl)-[(1S,8R)-5-pyrimidin-2-yl-10-oxa-3,4,6,12-tetrazatricyclo[6.3.1.02,6]dodeca-2,4-dien-12-yl]methanone
• 化学式: C₁₉H₁₇ClN₆O₂
• 分子量: 396.8
• InChiKey: JCVGOQZJMFUVHS-TZMCWYRMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  86
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• US20140275056A1
  申请人：——

  公开号：US20140275056A1

  公开（公告）日：2014-09-18
• P2X7 MODULATORS
  申请人：Jansssen Pharmaceutica NV

  公开号：US20170088550A1

  公开（公告）日：2017-03-30

  The present invention is directed to a compound of Formula (I): wherein: n is an integer from 0-1; X is CH 2 when n is 0, or X is CH 2 or oxygen when n is 1; R 1 is phenyl or pyridinyl, wherein the phenyl or pyridinyl is optionally substituted with from 1 to 4 substituents independently selected from halogen and alkyl; and R 2 is phenyl, pyridinyl, pyrazinyl, pyradizinyl, pyrimidinyl, pyrrolyl, pyrazolyl, thiazolyl or thiophenyl, wherein the phenyl, pyridinyl, pyrazinyl, pyradizinyl, pyrimidinyl, pyrrolyl, pyrazolyl, thiazolyl or thiophenyl is optionally substituted with from 1 to 2 substituents independently selected from the group consisting of halogen, alkyl, hydroxy and alkoxy. The invention also relates to pharmaceutical compositions comprising compounds of Formula (I). Methods of making and using the compounds of Formula (I) are also within the scope of the invention.
• US9102686B2
  申请人：——

  公开号：US9102686B2

  公开（公告）日：2015-08-11
• US9540388B2
  申请人：——

  公开号：US9540388B2

  公开（公告）日：2017-01-10