HCID86707967

(S)-4-Chloro-6-((1-(1-methyl-6-(1-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl)amino)-2-(methylthio)pyrimidine-5-carbonitrile

4-chloro-6-[[(1S)-1-[1-methyl-6-(2-methylpyrazol-3-yl)pyrrolo[3,2-b]pyridin-5-yl]ethyl]amino]-2-methylsulfanylpyrimidine-5-carbonitrile

C20H19ClN8S438.9 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CSc1nc(Cl)c(C#N)c(N[C@@H](C)c2nc3ccn(C)c3cc2-c2ccnn2C)n1
InChIKey: BXSNBCAYHQBVSI-NSHDSACASA-N
分子式: C20H19ClN8S
平均分子量: 438.9 g/mol
单同位素质量: 438.1141915

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 123 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 5
重原子: 30
形式电荷: 0
复杂度: 646

ALIASES

名称与别名

共 3 条

SCHEMBL15411969BXSNBCAYHQBVSI-NSHDSACASA-N(S)-4-Chloro-6-((1-(1-methyl-6-(1-methyl-1H-pyrazol-5-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl)amino)-2-(methylthio)pyrimidine-5-carbonitrile

REACTIONS