3-(4-fluorobenzamido)-5-[2-(4-hydroxymethylpiperidino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole

• 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: 3-(4-fluorobenzamido)-5-[2-(4-hydroxymethylpiperidino)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-c]pyrazole
• 英文别名: 4-fluoro-N-[5-[2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide
• 化学式: C₂₂H₂₄FN₇O₂
• 分子量: 437.477
• InChiKey: BJKISTQCQRJKJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  110
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• Bicyclo-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them
  申请人：Abrate Francesca

  公开号：US20070037790A1

  公开（公告）日：2007-02-15

  Compounds which are pyrrolo-pyrazole derivatives and pharmaceutically acceptable salts thereof, together with the process for their preparation and pharmaceutical compositions thereof are disclosed; these compounds or compositions are useful in the treatment of diseases caused by and/or associated with an altered protein kinase activity such as cancer, cell proliferative disorders, Alzheimer's disease, viral infections, auto-immune diseases and neurodegenerative disorders.

  本发明公开了吡咯-吡唑衍生物及其药学上可接受的盐，以及其制备方法和制药组合物；这些化合物或组合物在治疗由于和/或与蛋白激酶活性改变有关的疾病方面是有用的，例如癌症、细胞增殖性疾病、阿尔茨海默病、病毒感染、自身免疫性疾病和神经退行性疾病。