3-fluoro-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 387172
• 分子式: C19H15FN4OS
• 平均质量: 366.4120032
• 单一同位素质量: 366.09506034
• SMILES: c1(c(n2c(n1)cccc2)F)C(=O)N(Cc1nc(sc1)c1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1F)cccc2)Cc1csc(n1)c1ccccc1
• InChI: InChI=1S/C19H15FN4OS/c1-23(11-14-12-26-18(21-14)13-7-3-2-4-8-13)19(25)16-17(20)24-10-6-5-9-15(24)22-16/h2-10,12H,11H2,1H3
• InChIKey: MZMXCWYDDKPJPJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-fluoro-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 3-fluoro-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• 别名: 3-fluoro-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.9641862
• LogD (pH = 7.4): 2.964364
• Log P: 2.9643662
• 摩尔折射率: 109.0075 cm^3
• 极化性: 37.129745 Å^3
• 极化表面积: 50.5 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: 2.66
• LOG S: -4.14
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 4