[4-[[8-[4-[[3-Fluoro-4-[2-[4-(3-hydroxyazetidine-1-carbonyl)anilino]-8-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-3-ium-3-yl]-3-methylpyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: [4-[[8-[4-[[3-Fluoro-4-[2-[4-(3-hydroxyazetidine-1-carbonyl)anilino]-8-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-3-ium-3-yl]-3-methylpyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone
• 英文别名: [4-[[8-[4-[[3-fluoro-4-[2-[4-(3-hydroxyazetidine-1-carbonyl)anilino]-8-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-3-ium-3-yl]-3-methylpyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-(3-hydroxyazetidin-1-yl)methanone
• 化学式: C57H60FN12O4+
• 分子量: 996.2
• InChiKey: VHFDQUCOTXBYAM-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  74
• 可旋转键数：
  13
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  163
• 氢给体数：
  4
• 氢受体数：
  12