HCID86684367

4-(1-Methyl-5-(5-(4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3(4H)-yl)nicotinaldehyde

4-[1-methyl-5-[[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-6-oxo-3-pyridinyl]-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3-yl)pyridine-3-carbaldehyde

C34H35N9O4633.7 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1cc(-c2ccnc(-n3ncc4c5n(cc4c3=O)CCCC5)c2C=O)cc(Nc2ccc(N3CCN(C4COC4)CC3)cn2)c1=O
InChIKey: OXCOXGRKTWBOGB-UHFFFAOYSA-N
分子式: C34H35N9O4
平均分子量: 633.7 g/mol
单同位素质量: 633.28120063

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 129 Å²
氢键供体: 1
氢键受体: 10
可旋转键: 7
重原子: 47
形式电荷: 0
复杂度: 1,310

ALIASES

名称与别名

共 4 条

SCHEMBL14926008SCHEMBL29741921OXCOXGRKTWBOGB-UHFFFAOYSA-N4-(1-Methyl-5-(5-(4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)-2-(4-oxo-7,8,9,10-tetrahydropyridazino[4,5-a]indolizin-3(4H)-yl)nicotinaldehyde

REACTIONS