uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07285558B2
查看![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}-1-methyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-3-carboxamide 分子结构式](/api/mol/58981047/svg/360x280.svg)
HCID58981047
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}-1-methyl-N-(pyridin-4-ylmethyl)-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]-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
C31H31ClN8O3599.1 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cc(C(=O)NCc4ccncc4)cn3C)n(Cc3c[nH]c4ccc(Cl)cc34)nc21
- InChIKey
- FUMWODDMACMTSY-UHFFFAOYSA-N
- 分子式
- C31H31ClN8O3
- 平均分子量
- 599.1 g/mol
- 单同位素质量
- 598.2207646
COMPUTED
结构计算性质
- XLogP
- 3.3
- 极性表面积
- 121 Ų
- 氢键供体
- 2
- 氢键受体
- 5
- 可旋转键
- 8
- 重原子
- 43
- 形式电荷
- 0
- 复杂度
- 1,040
ALIASES
名称与别名
SCHEMBL5398320FUMWODDMACMTSY-UHFFFAOYSA-N5-{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}-1-methyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-3-carboxamide
REACTIONS
参与反应