N-[(4-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 494033
• 分子式: C22H25N3O3
• 平均质量: 379.4522
• 单一同位素质量: 379.18959168
• SMILES: c1(C(=O)N(Cc2ccc(cc2)OC)CC2OCCC2)cn2c(nc(c2)C)cc1
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)c1ccc2n(c1)cc(n2)C)CC1CCCO1
• InChI: InChI=1S/C22H25N3O3/c1-16-12-24-14-18(7-10-21(24)23-16)22(26)25(15-20-4-3-11-28-20)13-17-5-8-19(27-2)9-6-17/h5-10,12,14,20H,3-4,11,13,15H2,1-2H3
• InChIKey: RHVYNFYMNOWKGN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(4-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: N-[(4-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• 别名: N-(4-methoxybenzyl)-2-methyl-N-(tetrahydrofuran-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.5255458
• LogD (pH = 7.4): 2.1537824
• Log P: 2.1743028
• 摩尔折射率: 108.7302 cm^3
• 极化性: 41.009434 Å^3
• 极化表面积: 56.07 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: 4
• 质子供体: 0
• Log P: 1.83
• LOG S: -3.53
• 极化表面积: 56.07 Å^2
• 可自由旋转的化学键: 6