HCID59619879

2-{5-[1-(1,3-Dimethyl-1H-pyrazol-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-8-yl]-pyridin-3-yl}-2-methyl-propionitrile

2-[5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile

C25H23N7O437.5 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: Cc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)C#N)c4)cc3c21
InChIKey: FUTLJGVRPWZGDS-UHFFFAOYSA-N
分子式: C25H23N7O
平均分子量: 437.5 g/mol
单同位素质量: 437.19640838

COMPUTED

结构计算性质

等待补全

XLogP: 2.6
极性表面积: 90.9 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 3
重原子: 33
形式电荷: 0
复杂度: 808

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

SCHEMBL3513656FUTLJGVRPWZGDS-UHFFFAOYSA-N2-{5-[1-(1,3-Dimethyl-1H-pyrazol-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-8-yl]-pyridin-3-yl}-2-methyl-propionitrile

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08476294B2

查看