uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08859569B2
查看![2-[5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(4,4,4-trifluorobutyl)amino]-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one 分子结构式](/api/mol/71285652/svg/360x280.svg)
HCID71285652
2-[5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(4,4,4-trifluorobutyl)amino]-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-(4,4,4-trifluorobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
C25H22F5N7O531.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nc(NCCCC(F)(F)F)c21
- InChIKey
- FWFMLWJBVLMQND-UHFFFAOYSA-N
- 分子式
- C25H22F5N7O
- 平均分子量
- 531.5 g/mol
- 单同位素质量
- 531.18059916
COMPUTED
结构计算性质
- XLogP
- 4.9
- 极性表面积
- 97.6 Ų
- 氢键供体
- 2
- 氢键受体
- 11
- 可旋转键
- 7
- 重原子
- 38
- 形式电荷
- 0
- 复杂度
- 847
ALIASES
名称与别名
2-[5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5,5-dimethyl-4-[(4,4,4-trifluorobutyl)amino]-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-oneSCHEMBL14746411
REACTIONS
参与反应