6-chloro-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 711890
• 分子式: C19H19ClFN3O2
• 平均质量: 375.8244632
• 单一同位素质量: 375.11498276
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)N(Cc1cc(F)ccc1)C(COC)C
• Canonical SMILES: COCC(N(C(=O)c1cn2c(n1)ccc(c2)Cl)Cc1cccc(c1)F)C
• InChI: InChI=1S/C19H19ClFN3O2/c1-13(12-26-2)24(9-14-4-3-5-16(21)8-14)19(25)17-11-23-10-15(20)6-7-18(23)22-17/h3-8,10-11,13H,9,12H2,1-2H3
• InChIKey: LJVRWCBUXQESMP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-chloro-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 6-chloro-N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: 6-chloro-N-(3-fluorobenzyl)-N-(2-methoxy-1-methylethyl)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): 3.2800074
• LogD (pH = 7.4): 3.2841582
• Log P: 3.2842114
• 摩尔折射率: 99.5323 cm^3
• 极化性: 37.208603 Å^3
• 极化表面积: 46.84 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: 3
• 质子供体: 0
• Log P: 2.82
• LOG S: -4.35
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 6