4-chloro-N-{[1-(4-isopropylpiperazin-1-yl)cyclohexyl]methyl}-1-pyrimidin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide | 1186086-52-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-chloro-N-{[1-(4-isopropylpiperazin-1-yl)cyclohexyl]methyl}-1-pyrimidin-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
• 英文别名: 4-chloro-N-[[1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methyl]-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
• CAS: 1186086-52-1
• 化学式: C₂₆H₃₄ClN₇O
• 分子量: 496.055
• InChiKey: NHTZGAKABYBIFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  79.2
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] HETEROARYL AMIDE ANALOGUES<br/>[FR] ANALOGUES D'HÉTÉROARYLAMIDE
  申请人：LUNDBECK & CO AS H

  公开号：WO2009108551A2

  公开（公告）日：2009-09-03

  Compounds, pharmaceutical compositions, and methods of use are disclosed for heteroaryl amide analogues of formula Ia and/or Ib. In certain embodiments, the heteroaryl amide analogues are agonists and/or ligands of dopamine receptors and may be useful, inter alia, for the treatment of a condition responsive to P2X7 receptor modulation, for example, pain, inflammation, a neurological or neurodegenerative disorder, a cardiovascular disorder, an ocular disorder or an immune system disorder.