uspto-grants-2015_03 · 10.6084/m9.figshare.5104873.v1 · US08975417B2
查看![4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-2-(oxetan-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one 分子结构式](/api/mol/91826337/svg/360x280.svg)
HCID91826337
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-2-(oxetan-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-2-(oxetan-3-yl)-4H-pyrrolo[3,4-c]pyrazol-6-one
C23H21ClN6O2448.9 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(N2C(=O)c3nn(C4COC4)c(C)c3C2c2ccc(Cl)cc2)cn2c(C)nnc12
- InChIKey
- CWZBKMRDRUFOGI-UHFFFAOYSA-N
- 分子式
- C23H21ClN6O2
- 平均分子量
- 448.9 g/mol
- 单同位素质量
- 448.1414516
COMPUTED
结构计算性质
- XLogP
- 3.5
- 极性表面积
- 77.6 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 3
- 重原子
- 32
- 形式电荷
- 0
- 复杂度
- 731
ALIASES
名称与别名
CHEMBL3654267SCHEMBL16244673CWZBKMRDRUFOGI-UHFFFAOYSA-NBDBM150076US8975417, 1364-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methyl-2-(oxetan-3-yl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
REACTIONS
参与反应