uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367829B2
查看![(R)-N-[[1,6-Diethyl-4-[(tetrahydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]-amino]-2-methylpropyl]benzamide 分子结构式](/api/mol/66990156/svg/360x280.svg)
HCID66990156
(R)-N-[[1,6-Diethyl-4-[(tetrahydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]-amino]-2-methylpropyl]benzamide
N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]benzamide
C38H47N7O5681.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(CC(C)(C)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1
- InChIKey
- KBHINMHICWTLGJ-YTTGMZPUSA-N
- 分子式
- C38H47N7O5
- 平均分子量
- 681.8 g/mol
- 单同位素质量
- 681.36386763
COMPUTED
结构计算性质
- XLogP
- 4
- 极性表面积
- 163 Ų
- 氢键供体
- 6
- 氢键受体
- 9
- 可旋转键
- 13
- 重原子
- 50
- 形式电荷
- 0
- 复杂度
- 1,170
ALIASES
名称与别名
SCHEMBL1315903KBHINMHICWTLGJ-YTTGMZPUSA-N(R)-N-[[1,6-Diethyl-4-[(tetrahydro-2H-pyran-4-yl)amino]-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[2-[[2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]-amino]-2-methylpropyl]benzamide
REACTIONS
参与反应