N-cyclohexyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 771392
• 分子式: C19H23N5O
• 平均质量: 337.41882
• 单一同位素质量: 337.19026038
• SMILES: c1(C(=O)N(Cc2cn(nc2)C)C2CCCCC2)cn2c(ncc2)cc1
• Canonical SMILES: Cn1ncc(c1)CN(C(=O)c1ccc2n(c1)ccn2)C1CCCCC1
• InChI: InChI=1S/C19H23N5O/c1-22-12-15(11-21-22)13-24(17-5-3-2-4-6-17)19(25)16-7-8-18-20-9-10-23(18)14-16/h7-12,14,17H,2-6,13H2,1H3
• InChIKey: NDJZJMVDBJJKPI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-cyclohexyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.3830416
• LogD (pH = 7.4): 1.9848692
• Log P: 2.0091455
• 摩尔折射率: 109.3384 cm^3
• 极化性: 36.444855 Å^3
• 极化表面积: 55.43 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.4
• LOG S: -2.86
• 极化表面积: 55.43 Å^2
• 可自由旋转的化学键: 4