6-{3-(2,4-difluorophenyl)-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrazol-4-yl}-2-(2-methylphenyl)pyridazin-3(2H)-one | 928345-57-7

• 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: 6-{3-(2,4-difluorophenyl)-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrazol-4-yl}-2-(2-methylphenyl)pyridazin-3(2H)-one
• 英文别名: 6-[5-(2,4-difluorophenyl)-3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one
• CAS: 928345-57-7
• 化学式: C₂₅H₂₃F₂N₅O₂
• 分子量: 463.487
• InChiKey: BIUHFDCJJFLUFK-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  84.8
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• PYRIDAZINONE DERIVATIVES USED FOR THE TREATMENT OF PAIN
  申请人：Yamazaki Hitoshi

  公开号：US20090042856A1

  公开（公告）日：2009-02-12

  A pyridazinone derivative compound shown by the following formula (I): wherein R 1 is selected from hydrogen, etc.; R 2 is selected from substituted or unsubstituted aryl, etc.; R 3 is hydrogen, etc.; p is 0, 1 or 2; R 4 and R 5 , are each hydrogen, etc.; R 6 and R 7 , are taken together to form a group of the formula: wherein R 8 is hydrogen; X is selected from oxygen, etc; R 10 is selected from hydrogen, etc.; R 11 is selected from hydrogen, etc.; R 12 is selected from hydrogen, etc.; R 13 is selected from hydrogen, etc.; R 14 is selected from hydrogen, etc.; m and n are each 0, 1, or 2, or a pharmaceutically acceptable salt thereof, which is useful as a medicament.

  以下为化学式（I）所示的吡啶并咪唑酮衍生物化合物：其中R1选择氢等；R2选择取代或未取代的芳基等；R3选择氢等；p为0、1或2；R4和R5均为氢等；R6和R7相互结合形成下式的基团：其中R8为氢；X选择氧等；R10选择氢等；R11选择氢等；R12选择氢等；R13选择氢等；R14选择氢等；m和n均为0、1或2，或其药学上可接受的盐，用作药物。