N-cyclopentyl-N-{[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 318282
• 分子式: C29H29N3O2
• 平均质量: 451.55946
• 单一同位素质量: 451.22597718
• SMILES: c1(nc2n(c1)cccc2)C(=O)N(Cc1cc(OC2Cc3c(C2)cccc3)ccc1)C1CCCC1
• Canonical SMILES: O=C(N(C1CCCC1)Cc1cccc(c1)OC1Cc2c(C1)cccc2)c1nc2n(c1)cccc2
• InChI: InChI=1S/C29H29N3O2/c33-29(27-20-31-15-6-5-14-28(31)30-27)32(24-11-3-4-12-24)19-21-8-7-13-25(16-21)34-26-17-22-9-1-2-10-23(22)18-26/h1-2,5-10,13-16,20,24,26H,3-4,11-12,17-19H2
• InChIKey: MNPPHOUHORVTFY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-N-{[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-cyclopentyl-N-{[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-cyclopentyl-N-[3-(2,3-dihydro-1H-inden-2-yloxy)benzyl]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): 5.4732127
• LogD (pH = 7.4): 5.477629
• Log P: 5.477686
• 摩尔折射率: 134.2726 cm^3
• 极化性: 50.955482 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: false

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 5.56
• LOG S: -7.2
• 极化表面积: 46.84 Å^2
• 可自由旋转的化学键: 6