HCID136200220

2-(4-Chloro-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-imidazo[4,5-f]isoindole-5,7(1H,6H)-dione

2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-(1-methylpiperidin-4-yl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione

C20H18ClN5O3411.8 g/mol

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IDENTITY

结构与身份

标准SMILES: CN1CCC(N2C(=O)c3cc4nc(-c5c(Cl)cc[nH]c5=O)[nH]c4cc3C2=O)CC1
InChIKey: ZAPMEIQSIMYAEK-UHFFFAOYSA-N
分子式: C20H18ClN5O3
平均分子量: 411.8 g/mol
单同位素质量: 411.1098171

COMPUTED

结构计算性质

已同步

XLogP: 1.4
极性表面积: 98.4 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 2
重原子: 29
形式电荷: 0
复杂度: 819

ALIASES

名称与别名

共 5 条

SCHEMBL438635ZAPMEIQSIMYAEK-UHFFFAOYSA-N2-(4-chloro-2-oxo-1,2-dihydro-pyridin-3-yl)-6-(1-methyl-piperidin-4-yl)-1H-1,3,6-triaza-s-indacene-5,7-dione2-(4-Chloro-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-imidazo[4,5-f]isoindole-5,7(1H,6H)-dione2-(4-chloro-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)imidazo[4,5-f]isoindole-5,7(1H,6H)-dione

REACTIONS