8-methyl-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 617767
• 分子式: C19H20N4O2
• 平均质量: 336.3877
• 单一同位素质量: 336.1586259
• SMILES: n1c(cn2c1c(ccc2)C)C(=O)Nc1ccc(N2CCOCC2)cc1
• Canonical SMILES: O=C(c1cn2c(n1)c(C)ccc2)Nc1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C19H20N4O2/c1-14-3-2-8-23-13-17(21-18(14)23)19(24)20-15-4-6-16(7-5-15)22-9-11-25-12-10-22/h2-8,13H,9-12H2,1H3,(H,20,24)
• InChIKey: NWBLRUIOWZBNLE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-methyl-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 8-methyl-N-[4-(morpholin-4-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
• 别名: 8-methyl-N-[4-(4-morpholinyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• Acid pKa: 13.315405
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.6327128
• LogD (pH = 7.4): 2.6401525
• Log P: 2.6402493
• 摩尔折射率: 99.6422 cm^3
• 极化性: 36.1375 Å^3
• 极化表面积: 58.87 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 3.12
• LOG S: -4.32
• 极化表面积: 58.87 Å^2
• 可自由旋转的化学键: 3