HCID57737239

2,2,2-Trifluoro-N-[2-(methylsulfonyl)ethyl]-N-[(3-{[4-(2-{3-[(2-thienylacetyl)amino]phenyl}pyrazolo[1,5-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenyl)methyl]acetamide

2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[3-[[4-[2-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide

C35H30F3N7O4S2733.8 g/mol

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IDENTITY

结构与身份

标准SMILES: CS(=O)(=O)CCN(Cc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5cccs5)c4)nn4ccccc34)n2)c1)C(=O)C(F)(F)F
InChIKey: XOFJOBKYGWTVPO-UHFFFAOYSA-N
分子式: C35H30F3N7O4S2
平均分子量: 733.8 g/mol
单同位素质量: 733.1752793

COMPUTED

结构计算性质

已同步

XLogP: 4.8
极性表面积: 175 Å²
氢键供体: 2
氢键受体: 12
可旋转键: 12
重原子: 51
形式电荷: 0
复杂度: 1,290

ALIASES

名称与别名

共 2 条

2,2,2-Trifluoro-N-[2-(methylsulfonyl)ethyl]-N-[(3-{[4-(2-{3-[(2-thienylacetyl)amino]phenyl}pyrazolo[1,5-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenyl)methyl]acetamideSCHEMBL3544079

REACTIONS