uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08026236B2
查看![1-methyl-6-(4-(2-(1-(2-(pyrrolidin-1-yl)acetyl)piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile 分子结构式](/api/mol/46842774/svg/360x280.svg)
HCID46842774
1-methyl-6-(4-(2-(1-(2-(pyrrolidin-1-yl)acetyl)piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
1-methyl-6-[4-[2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]ethoxy]-3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine-4-carbonitrile
C28H31F3N6O2540.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CCN(C(=O)CN5CCCC5)CC4)c(C(F)(F)F)c3)cc21
- InChIKey
- IMMVNRNLZPRMSJ-UHFFFAOYSA-N
- 分子式
- C28H31F3N6O2
- 平均分子量
- 540.6 g/mol
- 单同位素质量
- 540.24605874
COMPUTED
结构计算性质
- XLogP
- 4.1
- 极性表面积
- 87.3 Ų
- 氢键供体
- 0
- 氢键受体
- 9
- 可旋转键
- 7
- 重原子
- 39
- 形式电荷
- 0
- 复杂度
- 882
ALIASES
名称与别名
1-methyl-6-(4-(2-(1-(2-(pyrrolidin-1-yl)acetyl)piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrileSCHEMBL1742254
REACTIONS
参与反应