uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829007B2
查看![1-(2-((2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)methyl)-4,4-difluoropiperidin-1-yl)-3-methoxypropan-1-one 分子结构式](/api/mol/67286199/svg/360x280.svg)
HCID67286199
1-(2-((2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)methyl)-4,4-difluoropiperidin-1-yl)-3-methoxypropan-1-one
1-[2-[[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]methyl]-4,4-difluoropiperidin-1-yl]-3-methoxypropan-1-one
C21H22ClF3N6O2482.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COCCC(=O)N1CCC(F)(F)CC1CNc1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F
- InChIKey
- HTRCMDJAQLQQJD-UHFFFAOYSA-N
- 分子式
- C21H22ClF3N6O2
- 平均分子量
- 482.9 g/mol
- 单同位素质量
- 482.1444861
COMPUTED
结构计算性质
- XLogP
- 2.8
- 极性表面积
- 96 Ų
- 氢键供体
- 2
- 氢键受体
- 9
- 可旋转键
- 7
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 680
ALIASES
名称与别名
1-(2-((2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)methyl)-4,4-difluoropiperidin-1-yl)-3-methoxypropan-1-oneSCHEMBL2127218
REACTIONS
参与反应
uspto-grants-2016_05 · 10.6084/m9.figshare.5104873.v1 · US09345708B2
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