uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653127B2
查看![(S)-N-(1-amino-4-methyl-1-oxopentan-2-yl)-3-(3,4-difluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamide 分子结构式](/api/mol/46863558/svg/360x280.svg)
HCID46863558
(S)-N-(1-amino-4-methyl-1-oxopentan-2-yl)-3-(3,4-difluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamide
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-3-(3,4-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxamide
C20H25F2N5O2405.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)C[C@H](NC(=O)n1nc(-c2ccc(F)c(F)c2)c2c1CCN(C)C2)C(N)=O
- InChIKey
- VXESXMPPCSUZHL-INIZCTEOSA-N
- 分子式
- C20H25F2N5O2
- 平均分子量
- 405.4 g/mol
- 单同位素质量
- 405.19763138
COMPUTED
结构计算性质
- XLogP
- 2.4
- 极性表面积
- 93.3 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 5
- 重原子
- 29
- 形式电荷
- 0
- 复杂度
- 607
ALIASES
名称与别名
SCHEMBL1335454VXESXMPPCSUZHL-INIZCTEOSA-N(S)-N-(1-amino-4-methyl-1-oxopentan-2-yl)-3-(3,4-difluorophenyl)-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamide
REACTIONS
参与反应