uspto-grants-2010_10 · 10.6084/m9.figshare.5104873.v1 · US07807673B2
查看![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 分子结构式](/api/mol/57737239/svg/360x280.svg)
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
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
- XLogP
- 4.8
- 极性表面积
- 175 Ų
- 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
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
