HCID54596558

N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indazole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindazole-4-carboxamide

C28H33N7O2499.6 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCNCC4)nc3)cc3c2cnn3C(C)C)c(=O)[nH]1
InChIKey: VYFBRDJIRRTWMS-UHFFFAOYSA-N
分子式: C28H33N7O2
平均分子量: 499.6 g/mol
单同位素质量: 499.26957332

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 104 Å²
氢键供体: 3
氢键受体: 6
可旋转键: 6
重原子: 37
形式电荷: 0
复杂度: 925

ALIASES

名称与别名

共 6 条

CHEMBL5179558SCHEMBL12180851VYFBRDJIRRTWMS-UHFFFAOYSA-NBRD-K42260513N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indazole-4-carboxamideN-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(1-piperazinyl)-3-pyridinyl]-1H-indazole-4-carboxamide

REACTIONS

参与反应

2 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846935B2

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uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US09018382B2

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