N-(2-methoxyethyl)-7-methyl-N-[(trimethyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 464949
• 分子式: C19H25N5O2
• 平均质量: 355.4341
• 单一同位素质量: 355.20082507
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N(Cc1c(n(nc1C)C)C)CCOC
• Canonical SMILES: COCCN(C(=O)c1nc2n(c1)ccc(c2)C)Cc1c(C)nn(c1C)C
• InChI: InChI=1S/C19H25N5O2/c1-13-6-7-23-12-17(20-18(23)10-13)19(25)24(8-9-26-5)11-16-14(2)21-22(4)15(16)3/h6-7,10,12H,8-9,11H2,1-5H3
• InChIKey: QQNMOIKMFGKPQB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-7-methyl-N-[(trimethyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-(2-methoxyethyl)-7-methyl-N-[(trimethylpyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-(2-methoxyethyl)-7-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.3862436
• LogD (pH = 7.4): 1.393016
• Log P: 1.3931028
• 摩尔折射率: 113.7781 cm^3
• 极化性: 37.649376 Å^3
• 极化表面积: 64.66 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.11
• LOG S: -2.74
• 极化表面积: 64.66 Å^2
• 可自由旋转的化学键: 6