HCID135932027

3-(5,6-Dimethyl-1H-benzoimidazol-2-yl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid diethylamide

3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N,N-diethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C20H26N6O366.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCN(CC)C(=O)N1CCc2[nH]nc(-c3nc4cc(C)c(C)cc4[nH]3)c2C1
InChIKey: DIMQNIPDBRMHBV-UHFFFAOYSA-N
分子式: C20H26N6O
平均分子量: 366.5 g/mol
单同位素质量: 366.21680947

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 80.9 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 3
重原子: 27
形式电荷: 0
复杂度: 541

ALIASES

名称与别名

共 3 条

SCHEMBL5952126DIMQNIPDBRMHBV-UHFFFAOYSA-N3-(5,6-Dimethyl-1H-benzoimidazol-2-yl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid diethylamide

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2012_10 · 10.6084/m9.figshare.5104873.v1 · US08288425B2

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uspto-grants-2012_10 · 10.6084/m9.figshare.5104873.v1 · US08288425B2

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