HCID69431875

5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carboxylic acid

5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-1-methylpyrrole-3-carboxylic acid

C26H23ClN6O4518.9 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1cc(C(=O)O)cc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12
InChIKey: XFTWTTQGEHKQRJ-UHFFFAOYSA-N
分子式: C26H23ClN6O4
平均分子量: 518.9 g/mol
单同位素质量: 518.1469309

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 114 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 6
重原子: 37
形式电荷: 0
复杂度: 935

ALIASES

名称与别名

共 3 条

SCHEMBL5411209XFTWTTQGEHKQRJ-UHFFFAOYSA-N5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carboxylic acid

REACTIONS