3-Cyano-4-[6-[4-[3-(cyanomethyl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-1-yl]piperidine-1-carbonyl]-2-(trifluoromethyl)pyrimidin-4-yl]-3-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]butanoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-Cyano-4-[6-[4-[3-(cyanomethyl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-1-yl]piperidine-1-carbonyl]-2-(trifluoromethyl)pyrimidin-4-yl]-3-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]butanoic acid
• 英文别名: 3-cyano-4-[6-[4-[3-(cyanomethyl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-1-yl]piperidine-1-carbonyl]-2-(trifluoromethyl)pyrimidin-4-yl]-3-[1-piperidin-4-yl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]butanoic acid
• 化学式: C₅₉H₇₅F₃N₁₈O₅Si₂
• 分子量: 1229.5
• InChiKey: ZTCREPFMURTTRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.56
• 重原子数：
  87
• 可旋转键数：
  23
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  265
• 氢给体数：
  2
• 氢受体数：
  21