uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08946235B2
查看![N-{4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine 分子结构式](/api/mol/71270213/svg/360x280.svg)
HCID71270213
N-{4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitrophenyl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
C24H30N8O3478.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1cc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1Nc1nccc(-c2cnn3c2CCCC3)n1
- InChIKey
- WZZHMKJDGYSHIG-MRXNPFEDSA-N
- 分子式
- C24H30N8O3
- 平均分子量
- 478.5 g/mol
- 单同位素质量
- 478.24408685
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 117 Ų
- 氢键供体
- 1
- 氢键受体
- 9
- 可旋转键
- 6
- 重原子
- 35
- 形式电荷
- 0
- 复杂度
- 723
ALIASES
名称与别名
SCHEMBL14719118SCHEMBL31367935WZZHMKJDGYSHIG-MRXNPFEDSA-NN-{4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-amine
REACTIONS
参与反应
uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08946235B2
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