N,6-dimethyl-N-{[3-(pyridin-3-yl)-1,2-oxazol-5-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 398681
• 分子式: C19H17N5O2
• 平均质量: 347.37058
• 单一同位素质量: 347.13822481
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N(Cc1cc(no1)c1cnccc1)C
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)N(Cc1onc(c1)c1cccnc1)C
• InChI: InChI=1S/C19H17N5O2/c1-13-5-6-18-21-17(12-24(18)10-13)19(25)23(2)11-15-8-16(22-26-15)14-4-3-7-20-9-14/h3-10,12H,11H2,1-2H3
• InChIKey: ADHAKSLOAGELKF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,6-dimethyl-N-{[3-(pyridin-3-yl)-1,2-oxazol-5-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N,6-dimethyl-N-{[3-(pyridin-3-yl)-1,2-oxazol-5-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N,6-dimethyl-N-{[3-(3-pyridinyl)-5-isoxazolyl]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): 1.756319
• LogD (pH = 7.4): 1.7809169
• Log P: 1.7812364
• 摩尔折射率: 98.0168 cm^3
• 极化性: 37.204315 Å^3
• 极化表面积: 76.53 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: 5
• 质子供体: 0
• Log P: 0.39
• LOG S: -2.07
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 4