HCID59414609

2-((R)-1-(1-(2-hydroxyacetyl)piperidin-4-yl)ethylamino)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile

2-[[(1R)-1-[1-(2-hydroxyacetyl)piperidin-4-yl]ethyl]amino]-4-[1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile

C29H28F3N7O4S627.6 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(S(=O)(=O)n2cc(-c3nc(N[C@H](C)C4CCN(C(=O)CO)CC4)ncc3C#N)c3cc(C(F)(F)F)cnc32)cc1
InChIKey: ZZXPJSJSOLNLAZ-GOSISDBHSA-N
分子式: C29H28F3N7O4S
平均分子量: 627.6 g/mol
单同位素质量: 627.18755806

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 162 Å²
氢键供体: 2
氢键受体: 12
可旋转键: 7
重原子: 44
形式电荷: 0
复杂度: 1,160

ALIASES

名称与别名

共 2 条

2-((R)-1-(1-(2-hydroxyacetyl)piperidin-4-yl)ethylamino)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrileSCHEMBL3502494

REACTIONS