3-(4-cyclohexylamino-1H-pyrazolo[4,3-c]pyridin-3-yl)-1-[4-(2-methoxy-ethyl)-piperazin-1-yl]-propan-1-one | 1246347-72-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-(4-cyclohexylamino-1H-pyrazolo[4,3-c]pyridin-3-yl)-1-[4-(2-methoxy-ethyl)-piperazin-1-yl]-propan-1-one
• 英文别名: 3-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
• CAS: 1246347-72-7
• 化学式: C₂₂H₃₄N₆O₂
• 分子量: 414.551
• InChiKey: GLHSSDNXZRRTGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  86.4
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• COMPOUNDS
  申请人：Mciver Edward Giles

  公开号：US20100317646A1

  公开（公告）日：2010-12-16

  A compound of formula I, or a pharmaceutically acceptable salt or ester thereof, wherein R 1 is selected from: aryl; heteroaryl; —NHR 3 ; fused aryl-C 4-7 -heterocycloalkyl; —CONR 4 R 5 ; —NHCOR 6 ; —C 3-7 -cycloalkyl; —O—C 3-7 -cycloalkyl; —NR 3 R 6 ; and optionally substituted —C 1-6 alkyl; wherein said aryl, heteroaryl, fused aryl-C 4-7 -heterocycloalkyl and C 4-7 -heterocycloalkyl are each optionally substituted; R 2 is selected from hydrogen, aryl, C 1-6 -alkyl, C 2-6 -alkenyl, C 3-7 -cycloalkyl, heteroaryl, C 4-7 heterocycloalkyl and halogen, wherein said C 1-6 -alkyl, C 2-6 -alkenyl, aryl, heteroaryl and C 4-7 -heterocycloalkyl are each optionally substituted; R 3 is selected from aryl, heteroaryl, C 4-7 -heterocycloalkyl, C 3-7 -cycloalkyl, fused aryl-C 4-7 -heterocycloalkyl and C 1-6 -alkyl, each of which is optionally substituted; R 4 and R 5 are each independently hydrogen, or optionally substituted C 3-7 -cycloalkyl, aryl, heteroaryl, C 1-6 -alkyl or C 3-6 -heterocycloalkyl; or R 4 and R 5 together with the N to which they are attached form a C 3-6 -heterocycloalkyl ring; each R 6 is independently selected from C 1-6 -alkyl, C 3-7 cycloalkyl, C 4-7 -heterocycloalkyl, aryl and heteroaryl, each of which is optionally substituted each R 7 is selected from hydrogen, optionally substituted C 1-6 -alkyl and C 3-7 -cycloalkyl; each of R 8 and R 9 is independently hydrogen or optionally substituted C 1-6 -alkyl; or R 8 and R 9 together with the N to which they are attached form a C 4-6 -heterocycloalkyl; each R 10 is selected from C 3-7 -cycloalkyl and optionally substituted C 1-6 -alkyl; each R 11 is independently selected from C 1-6 -alkyl, C 3-7 -cycloalkyl, C 1-6 alkyl-C 3-7 -cycloalkyl, C 4-7 -heterocycloalkyl, aryl and heteroaryl, each of which is optionally substituted; A is selected from halogen, —NR 4 SO 2 R 5 , —CN, —OR 6 , —NR 4 R 5 , —NR 7 R 11 , hydroxyl, —CF 3 , —CONR 4 R 5 , —NR 4 COR 5 , —NR 7 (CO)NR 4 R 5 , —NO 2 , —CO 2 H, —CO 2 R 6 , —SO 2 R 6 , —SO 2 NR 4 R 5 , —NR 4 COR 5 , —NR 4 COOR 5 , C 1-6 -alkyl and —COR 6 . Further aspects relate to pharmaceutical compositions, therapeutic uses and process for preparing compounds of formula I.

  化合物I的公式，或其药学上可接受的盐或酯，其中R1选自：芳基；杂环芳基；—NHR3；融合的芳基-C4-7-杂环烷基；—CONR4R5；—NHCOR6；—C3-7-环烷基；—O—C3-7-环烷基；—NR3R6；和可选择取代的—C1-6烷基；其中所述的芳基，杂环芳基，融合的芳基-C4-7-杂环烷基和C4-7-杂环烷基均可选择取代；R2选自氢，芳基，C1-6-烷基，C2-6-烯基，C3-7-环烷基，杂环芳基，C4-7-杂环烷基和卤素，其中所述的C1-6-烷基，C2-6-烯基，芳基，杂环芳基和C4-7-杂环烷基均可选择取代；R3选自芳基，杂环芳基，C4-7-杂环烷基，C3-7-环烷基，融合的芳基-C4-7-杂环烷基和C1-6-烷基，每种均可选择取代；R4和R5各自独立地选自氢，或可选择取代的C3-7-环烷基，芳基，杂环芳基，C1-6-烷基或C3-6-杂环烷基；或R4和R5与它们连接的N一起形成C3-6-杂环烷基环；每个R6各自独立地选自C1-6-烷基，C3-7-环烷基，C4-7-杂环烷基，芳基和杂环芳基，每种均可选择取代；每个R7选自氢，可选择取代的C1-6-烷基和C3-7-环烷基；每个R8和R9各自独立地选自氢或可选择取代的C1-6-烷基；或R8和R9与它们连接的N一起形成C4-6-杂环烷基；每个R10选自C3-7-环烷基和可选择取代的C1-6-烷基；每个R11各自独立地选自C1-6-烷基，C3-7-环烷基，C1-6-烷基-C3-7-环烷基，C4-7-杂环烷基，芳基和杂环芳基，每种均可选择取代；A选自卤素，—NR4SO2R5，—CN，—OR6，—NR4R5，—NR7R11，羟基，—CF3，—CONR4R5，—NR4COR5，—NR7（CO）NR4R5，—NO2，—CO2H，—CO2R6，—SO2R6，—SO2NR4R5，—NR4COR5，—NR4COOR5，C1-6-烷基和—COR6。进一步方面涉及公式I化合物的制药组合物，治疗用途和制备过程。