HCID86684366

(4-(4-Methyl-6-(6-(4-(oxetan-3-yl)piperazin-1-yl)pyridin-3-ylamino)-5-oxo-4,5-dihydropyrazin-2-yl)-2-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)pyridin-3-yl)methyl Acetate

[4-[4-methyl-6-[[6-[4-(oxetan-3-yl)piperazin-1-yl]-3-pyridinyl]amino]-5-oxopyrazin-2-yl]-2-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2-yl)-3-pyridinyl]methyl acetate

C36H41N9O5679.8 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)OCc1c(-c2cn(C)c(=O)c(Nc3ccc(N4CCN(C5COC5)CC4)nc3)n2)ccnc1N1CCn2c(cc3c2CCCC3)C1=O
InChIKey: SASUHHGCYIUTDA-UHFFFAOYSA-N
分子式: C36H41N9O5
平均分子量: 679.8 g/mol
单同位素质量: 679.32306544

COMPUTED

结构计算性质

已同步

XLogP: 1.4
极性表面积: 138 Å²
氢键供体: 1
氢键受体: 10
可旋转键: 9
重原子: 50
形式电荷: 0
复杂度: 1,350

ALIASES

名称与别名

共 4 条

SCHEMBL14930385SCHEMBL29742167SASUHHGCYIUTDA-UHFFFAOYSA-N(4-(4-Methyl-6-(6-(4-(oxetan-3-yl)piperazin-1-yl)pyridin-3-ylamino)-5-oxo-4,5-dihydropyrazin-2-yl)-2-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)pyridin-3-yl)methyl Acetate

REACTIONS