uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09447104B2
查看![(R)-N-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxy-3-methylazetidine-1-carboxamide hydrochloride 分子结构式](/api/mol/67307280/svg/360x280.svg)
HCID67307280
(R)-N-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxy-3-methylazetidine-1-carboxamide hydrochloride
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxy-3-methylazetidine-1-carboxamide;hydrochloride
C21H23ClF2N6O2464.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC1(O)CN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)C1.Cl
- InChIKey
- PHWXNMBASQNDDW-UNTBIKODSA-N
- 分子式
- C21H23ClF2N6O2
- 平均分子量
- 464.9 g/mol
- 单同位素质量
- 464.153908
COMPUTED
结构计算性质
- 极性表面积
- 86 Ų
- 氢键供体
- 3
- 氢键受体
- 7
- 可旋转键
- 3
- 重原子
- 32
- 形式电荷
- 0
- 复杂度
- 680
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL2180493PHWXNMBASQNDDW-UNTBIKODSA-N(R)-N-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxy-3-methylazetidine-1-carboxamide hydrochloride
REACTIONS
参与反应
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