HRID1181729
uspto-grants-2007_10
作为生成物
uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07285558B2
查看条件与参与物HCID58981097
5-{7-isobutyl-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-N,1-dimethyl-1H-pyrrole-3-carboxamide
N,1-dimethyl-5-[5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]-7-(2-methylpropyl)-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]pyrrole-3-carboxamide
C27H31N7O3501.6 g/mol
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(C)cc23)n(C)c1
- InChIKey
- LGGHMCDTMLCQIX-UHFFFAOYSA-N
- 分子式
- C27H31N7O3
- 平均分子量
- 501.6 g/mol
- 单同位素质量
- 501.24883788
COMPUTED
结构计算性质
- XLogP
- 2.6
- 极性表面积
- 108 Ų
- 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
- 899
ALIASES
名称与别名
SCHEMBL5407897LGGHMCDTMLCQIX-UHFFFAOYSA-N5-{7-isobutyl-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-N,1-dimethyl-1H-pyrrole-3-carboxamide
REACTIONS