N-[1-(furan-2-yl)ethyl]-N-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase编号: 845556
• 分子式: C15H19N3O2
• 平均质量: 273.33026
• 单一同位素质量: 273.14772686
• SMILES: c1(C(=O)N(C(c2occc2)C)C)c2n(nc1)CCCC2
• Canonical SMILES: CN(C(=O)c1cnn2c1CCCC2)C(c1ccco1)C
• InChI: InChI=1S/C15H19N3O2/c1-11(14-7-5-9-20-14)17(2)15(19)12-10-16-18-8-4-3-6-13(12)18/h5,7,9-11H,3-4,6,8H2,1-2H3
• InChIKey: FYFLEVCOKYRWAE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[1-(furan-2-yl)ethyl]-N-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-[1-(furan-2-yl)ethyl]-N-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-[1-(2-furyl)ethyl]-N-methyl-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): 1.5934746
• LogD (pH = 7.4): 1.593512
• Log P: 1.5935125
• 摩尔折射率: 87.7986 cm^3
• 极化性: 28.455404 Å^3
• 极化表面积: 51.27 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.15
• LOG S: -2.18
• 极化表面积: 51.27 Å^2
• 可自由旋转的化学键: 3