N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase编号: 838418
• 分子式: C19H22N4O3
• 平均质量: 354.40298
• 单一同位素质量: 354.16919058
• SMILES: n12c(C(=O)NCC(c3oc(cc3)C)N3CCOCC3)cccc1ccn2
• Canonical SMILES: Cc1ccc(o1)C(N1CCOCC1)CNC(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C19H22N4O3/c1-14-5-6-18(26-14)17(22-9-11-25-12-10-22)13-20-19(24)16-4-2-3-15-7-8-21-23(15)16/h2-8,17H,9-13H2,1H3,(H,20,24)
• InChIKey: QGTUQPYUXIEALJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC传统名: N-[2-(5-methylfuran-2-yl)-2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• 别名: N-[2-(5-methyl-2-furyl)-2-morpholin-4-ylethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

理论计算性质

JChem

• Acid pKa: 14.663424
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.0011963
• LogD (pH = 7.4): 1.3352315
• Log P: 1.3416927
• 摩尔折射率: 108.7475 cm^3
• 极化性: 37.55815 Å^3
• 极化表面积: 72.01 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: 0.57
• LOG S: -2.27
• 极化表面积: 72.01 Å^2
• 可自由旋转的化学键: 5