HCID11533740

5-{2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-N,1-dimethyl-1H-pyrrole-3-carboxamide

5-[2-[(5-chloro-1H-indol-3-yl)methyl]-5-methyl-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-N,1-dimethylpyrrole-3-carboxamide

C26H28ClN7O3522 g/mol

查看相关反应登录后使用结构检索

IDENTITY

结构与身份

标准 SMILES: CNC(=O)c1cc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2c[nH]c3ccc(Cl)cc23)n(C)c1
InChIKey: OZINQXLAUFULHK-UHFFFAOYSA-N
分子式: C26H28ClN7O3
平均分子量: 522 g/mol
单同位素质量: 521.1942155

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 108 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 6
重原子: 37
形式电荷: 0
复杂度: 905

ALIASES

名称与别名

共 4 条

5-{2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-N,1-dimethyl-1H-pyrrole-3-carboxamide5-{2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-N,1-dimethyl-1H-pyrrole-3-carboxamideSCHEMBL5398829OZINQXLAUFULHK-UHFFFAOYSA-N

REACTIONS

参与反应

0 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

当前筛选下没有反应记录。