HCID58980912

methyl 5-{7-(cyclopropylmethyl)-2-[(5-ethyl-1H-indol-3-yl)methyl]-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-1-methyl-1H-pyrrole-3-carboxylate

methyl 5-[7-(cyclopropylmethyl)-2-[(5-ethyl-1H-indol-3-yl)methyl]-5-methyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-1-methylpyrrole-3-carboxylate

C28H30N6O4514.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCc1ccc2[nH]cc(Cn3nc4c(c3-c3cc(C(=O)OC)cn3C)c(=O)n(C)c(=O)n4CC3CC3)c2c1
InChIKey: VSPVCLCSTXQZEY-UHFFFAOYSA-N
分子式: C28H30N6O4
平均分子量: 514.6 g/mol
单同位素质量: 514.23285346

COMPUTED

结构计算性质

已同步

XLogP: 3
极性表面积: 105 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 8
重原子: 38
形式电荷: 0
复杂度: 944

ALIASES

名称与别名

共 4 条

methyl 5-{7-(cyclopropylmethyl)-2-[(5-ethyl-1H-indol-3-yl)methyl]-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-1-methyl-1H-pyrrole-3-carboxylatemethyl 5-{7-(cyclopropylmethyl)-2-[(5-ethyl-1H-indol-3-yl)methyl]-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxylateSCHEMBL5398478VSPVCLCSTXQZEY-UHFFFAOYSA-N

REACTIONS

参与反应

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