uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846656B2
查看![6-(3-isopropyl-1-methyl-1H-pyrazol-5-yl)-4-methoxy-2-(3-methyl-1-tosyl-1H-indol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine 分子结构式](/api/mol/71240596/svg/360x280.svg)
HCID71240596
6-(3-isopropyl-1-methyl-1H-pyrazol-5-yl)-4-methoxy-2-(3-methyl-1-tosyl-1H-indol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
4-methoxy-2-[3-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]-6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
C31H34N6O3S570.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1nc(-c2cccc3c2c(C)cn3S(=O)(=O)c2ccc(C)cc2)nc2c1CN(c1cc(C(C)C)nn1C)CC2
- InChIKey
- XMIYNUIAIWHFEW-UHFFFAOYSA-N
- 分子式
- C31H34N6O3S
- 平均分子量
- 570.7 g/mol
- 单同位素质量
- 570.24131014
COMPUTED
结构计算性质
- XLogP
- 5.7
- 极性表面积
- 104 Ų
- 氢键供体
- 0
- 氢键受体
- 7
- 可旋转键
- 6
- 重原子
- 41
- 形式电荷
- 0
- 复杂度
- 1,000
ALIASES
名称与别名
SCHEMBL14663044XMIYNUIAIWHFEW-UHFFFAOYSA-N6-(3-isopropyl-1-methyl-1H-pyrazol-5-yl)-4-methoxy-2-(3-methyl-1-tosyl-1H-indol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
REACTIONS
