1-Ethyl-1-[methyl-[[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]carbamoyl]amino]-3-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenyl]urea

• 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: 1-Ethyl-1-[methyl-[[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]carbamoyl]amino]-3-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenyl]urea
• 英文别名: 1-ethyl-1-[methyl-[[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]carbamoyl]amino]-3-[4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenyl]urea
• 化学式: C₅₅H₆₅N₁₇O₄
• 分子量: 1028.2
• InChiKey: PDSAWQYTGMGWAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  76
• 可旋转键数：
  11
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  205
• 氢给体数：
  3
• 氢受体数：
  15