uspto-grants-2015_01 · 10.6084/m9.figshare.5104873.v1 · US08933103B2
查看![N-{4-[2-Amino-5-(3-methoxyphenyl)pyridin-3-yl]phenyl}-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-1,4-dihydropyridine-3-carboxamide 分子结构式](/api/mol/86700051/svg/360x280.svg)
HCID86700051
N-{4-[2-Amino-5-(3-methoxyphenyl)pyridin-3-yl]phenyl}-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-1,4-dihydropyridine-3-carboxamide
N-[4-[2-amino-5-(3-methoxyphenyl)-3-pyridinyl]phenyl]-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
C32H24F4N4O3588.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1cccc(-c2cnc(N)c(-c3ccc(NC(=O)c4cn(CC(F)(F)F)cc(-c5ccc(F)cc5)c4=O)cc3)c2)c1
- InChIKey
- DXNTWIVUAAAOSH-UHFFFAOYSA-N
- 分子式
- C32H24F4N4O3
- 平均分子量
- 588.5 g/mol
- 单同位素质量
- 588.17845329
COMPUTED
结构计算性质
- XLogP
- 6
- 极性表面积
- 97.6 Ų
- 氢键供体
- 2
- 氢键受体
- 10
- 可旋转键
- 7
- 重原子
- 43
- 形式电荷
- 0
- 复杂度
- 1,050
ALIASES
名称与别名
N-{4-[2-Amino-5-(3-methoxyphenyl)pyridin-3-yl]phenyl}-5-(4-fluorophenyl)-4-oxo-1-(2,2,2-trifluoroethyl)-1,4-dihydropyridine-3-carboxamideSCHEMBL15333947
REACTIONS
参与反应