N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase编号: 330677
• 分子式: C20H25N3O
• 平均质量: 323.432
• 单一同位素质量: 323.19976244
• SMILES: c1(C(=O)N(C2Cc3c(C2)cccc3)CCC)c2n(nc1)CCCC2
• Canonical SMILES: CCCN(C(=O)c1cnn2c1CCCC2)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C20H25N3O/c1-2-10-22(17-12-15-7-3-4-8-16(15)13-17)20(24)18-14-21-23-11-6-5-9-19(18)23/h3-4,7-8,14,17H,2,5-6,9-13H2,1H3
• InChIKey: NHLIWLGBTKCOCI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.3843
• LogD (pH = 7.4): 3.3843377
• Log P: 3.3843381
• 摩尔折射率: 107.9963 cm^3
• 极化性: 36.3635 Å^3
• 极化表面积: 38.13 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: 2
• 质子供体: 0
• Log P: 3.24
• LOG S: -4.33
• 极化表面积: 38.13 Å^2
• 可自由旋转的化学键: 4