HCID71270076

5-Chloro-N-{4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(1H-indol-3-yl)pyrimidin-2-amine

5-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-methoxy-5-nitrophenyl]-4-(1H-indol-3-yl)pyrimidin-2-amine

C25H26ClN7O3508 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(N2CC[C@@H](N(C)C)C2)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1
InChIKey: HEVMGIPNTDFSFF-OAHLLOKOSA-N
分子式: C25H26ClN7O3
平均分子量: 508 g/mol
单同位素质量: 507.1785654

COMPUTED

结构计算性质

已同步

XLogP: 4.7
极性表面积: 115 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 6
重原子: 36
形式电荷: 0
复杂度: 758

ALIASES

名称与别名

共 3 条

SCHEMBL14718867HEVMGIPNTDFSFF-OAHLLOKOSA-N5-Chloro-N-{4-[(3R)-3-dimethylaminopyrrolidin-1-yl]-2-methoxy-5-nitrophenyl}-4-(1H-indol-3-yl)pyrimidin-2-amine

REACTIONS

参与反应

1 条

uspto-grants-2015_02 · 10.6084/m9.figshare.5104873.v1 · US08946235B2

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