4-[4-(1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-pyrimidin-2-ylamino]-3-methyl-benzamide | 1221153-15-6

• 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: 4-[4-(1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-pyrimidin-2-ylamino]-3-methyl-benzamide
• 英文别名: 3-Methyl-4-[[4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-yl]amino]benzamide
• CAS: 1221153-15-6
• 化学式: C₂₂H₂₂N₆O
• 分子量: 386.456
• InChiKey: WDSXRLNQCNXBAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  98.7
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY<br/>[FR] NOUVEAUX DÉRIVÉS DE 6-AZAINDOLE AMINOPYRIMIDINE AYANT UNE ACTIVITÉ INHIBITRICE DE NIK
  申请人：MERCK SHARP & DOHME

  公开号：WO2010042337A1

  公开（公告）日：2010-04-15

  The present invention relates to a compound of formula I: wherein: R1 is C1-6 alkyl, C3-8 cycloalkyl, aryl, heterocyclyl, or -COR1x, where the C1-6 alkyl, C3-8 cycloalkyl, aryl, and heterocyclyl may be substituted; and R1x is C3-8 cycloalkyl, aryl, or heterocyclyl, any of which may be substituted; R2, R3, R4, R5, R6, and R7 are each independently hydrogen, halogen, C1-6 alkyl, or aryl, where the C1-6 alkyl or aryl may be substituted; R8 is hydrogen, C1-6 alkyl, aryl, or heterocyclyl, any of which may be substituted; or a pharmaceutically acceptable salt or ester thereof.

  本发明涉及一种具有以下式I的化合物：其中：R1为C1-6烷基，C3-8环烷基，芳基，杂环烷基，或-COR1x，其中C1-6烷基，C3-8环烷基，芳基和杂环烷基可以被取代；而R1x为C3-8环烷基，芳基，或杂环烷基，其中任何一种可以被取代；R2、R3、R4、R5、R6和R7分别独立地为氢，卤素，C1-6烷基，或芳基，其中C1-6烷基或芳基可以被取代；R8为氢，C1-6烷基，芳基，或杂环烷基，其中任何一种可以被取代；或其药学上可接受的盐或酯。
• NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY
  申请人：Goto Yasuhiro

  公开号：US20110183975A1

  公开（公告）日：2011-07-28

  The present invention relates to a compound of formula I: wherein: R 1 is C 1-6 alkyl, C 3-8 cycloalkyl, aryl, heterocyclyl, or —COR 1x , where the C 1-6 alkyl, C 3-8 cycloalkyl, aryl, and heterocyclyl may be substituted; and R 1x is C 3-8 cycloalkyl, aryl, or heterocyclyl, any of which may be substituted; R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 are each independently hydrogen, halogen, C 1-6 alkyl, or aryl, where the C 1-6 alkyl or aryl may be substituted; R 8 is hydrogen, C 1-6 alkyl, aryl, or heterocyclyl, any of which may be substituted; or a pharmaceutically acceptable salt or ester thereof.

  本发明涉及一种I式化合物，其中：R1是C1-6烷基，C3-8环烷基，芳基，杂环基或—COR1x，其中C1-6烷基，C3-8环烷基，芳基和杂环基可以被取代；而R1x是C3-8环烷基，芳基或杂环基，任何一个可以被取代；R2、R3、R4、R5、R6和R7各自独立地是氢、卤素、C1-6烷基或芳基，其中C1-6烷基或芳基可以被取代；R8是氢、C1-6烷基、芳基或杂环基，任何一个可以被取代；或其药学上可接受的盐或酯。