6-chloro-N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 755487
• 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(Cc1ccc(F)cc1)CCCOC
• Canonical SMILES: COCCCN(C(=O)c1cn2c(n1)ccc(c2)Cl)Cc1ccc(cc1)F
• InChI: InChI=1S/C19H19ClFN3O2/c1-26-10-2-9-23(11-14-3-6-16(21)7-4-14)19(25)17-13-24-12-15(20)5-8-18(24)22-17/h3-8,12-13H,2,9-11H2,1H3
• InChIKey: HQDUGALSWOYOBT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6-chloro-N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 6-chloro-N-[(4-fluorophenyl)methyl]-N-(3-methoxypropyl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: 6-chloro-N-(4-fluorobenzyl)-N-(3-methoxypropyl)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): 2.9233832
• LogD (pH = 7.4): 2.927543
• Log P: 2.927596
• 摩尔折射率: 99.9789 cm^3
• 极化性: 37.208645 Å^3
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.68
• LOG S: -4.23
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 7