HCID58980014

N-[4-(1-ethyl-4-{2-[4-(1-pyrrolidinylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}-1H-pyrazol-3-yl)phenyl]-2-methylpropanamide

N-[4-[1-ethyl-4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-2-methylpropanamide

C33H36N6O532.7 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN5CCCC5)cc4)cc23)c(-c2ccc(NC(=O)C(C)C)cc2)n1
InChIKey: VQPOTKTXUVHSIK-UHFFFAOYSA-N
分子式: C33H36N6O
平均分子量: 532.7 g/mol
单同位素质量: 532.29505979

COMPUTED

结构计算性质

已同步

XLogP: 5.4
极性表面积: 78.8 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 8
重原子: 40
形式电荷: 0
复杂度: 816

ALIASES

名称与别名

共 3 条

SCHEMBL4312185VQPOTKTXUVHSIK-UHFFFAOYSA-NN-[4-(1-ethyl-4-{2-[4-(1-pyrrolidinylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}-1H-pyrazol-3-yl)phenyl]-2-methylpropanamide

REACTIONS