7-[(4-methoxyphenyl)amino]-5-[2′-(trifluoromethoxy)biphenyl-3-yl]-2,5-dihydro-4H-pyrazolo[3′,4′:4,5]pyrido[2,3-d]pyrimidin-4-one

• 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: 7-[(4-methoxyphenyl)amino]-5-[2′-(trifluoromethoxy)biphenyl-3-yl]-2,5-dihydro-4H-pyrazolo[3′,4′:4,5]pyrido[2,3-d]pyrimidin-4-one
• 英文别名: 11-(4-Methoxyanilino)-8-[3-[2-(trifluoromethoxy)phenyl]phenyl]-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one；11-(4-methoxyanilino)-8-[3-[2-(trifluoromethoxy)phenyl]phenyl]-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
• 化学式: C₂₈H₁₉F₃N₆O₃
• 分子量: 544.492
• InChiKey: DALLUUOZYGKFJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• US20140275023A1
  申请人：——

  公开号：US20140275023A1

  公开（公告）日：2014-09-18
• US9012466B2
  申请人：——

  公开号：US9012466B2

  公开（公告）日：2015-04-21
• [EN] SUBSTITUTED TRICYCLIC PYRAZOLO-PYRIMIDINE COMPOUNDS<br/>[FR] COMPOSÉS TRICYCLIQUES SUBSTITUÉS DE PYRAZOLO-PYRIMIDINE
  申请人：ARQULE INC

  公开号：WO2014164729A1

  公开（公告）日：2014-10-09

  The present invention relates to substituted tricyclic pyrazolo-pyrimidine compounds and methods of synthesizing these compounds. The present invention also relates to pharmaceutical compositions containing substituted tricyclic pyrazolo-pyrimidine compounds and methods of treating cell proliferative disorders, such as cancer, by administering these compounds and pharmaceutical compositions to subjects in need thereof.