HCID58981140

3-(4-acetyl-1-methyl-1H-pyrrol-2-yl)-2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

3-(4-acetyl-1-methylpyrrol-2-yl)-2-[(5-chloro-1H-indol-3-yl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione

C26H27ClN6O3507 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)c1cc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2c[nH]c3ccc(Cl)cc23)n(C)c1
InChIKey: XLTXTAOFLXGVHC-UHFFFAOYSA-N
分子式: C26H27ClN6O3
平均分子量: 507 g/mol
单同位素质量: 506.1833164

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 96.2 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 6
重原子: 36
形式电荷: 0
复杂度: 888

ALIASES

名称与别名

共 3 条

SCHEMBL5399461XLTXTAOFLXGVHC-UHFFFAOYSA-N3-(4-acetyl-1-methyl-1H-pyrrol-2-yl)-2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

REACTIONS