2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase编号: 535472
• 分子式: C19H25N5O3
• 平均质量: 371.4335
• 单一同位素质量: 371.19573969
• SMILES: n12c(nc(c2)C)ccc(c1)C(=O)NC1CCN(C(=O)N2CCOCC2)CC1
• Canonical SMILES: O=C(N1CCOCC1)N1CCC(CC1)NC(=O)c1ccc2n(c1)cc(n2)C
• InChI: InChI=1S/C19H25N5O3/c1-14-12-24-13-15(2-3-17(24)20-14)18(25)21-16-4-6-22(7-5-16)19(26)23-8-10-27-11-9-23/h2-3,12-13,16H,4-11H2,1H3,(H,21,25)
• InChIKey: KFEVJNZWGGQOSJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC传统名: 2-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
• 别名: 2-methyl-N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]imidazo[1,2-a]pyridine-6-carboxamide

理论计算性质

JChem

• Acid pKa: 14.377515
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.5419315
• LogD (pH = 7.4): -0.9067744
• Log P: -0.88575745
• 摩尔折射率: 101.7699 cm^3
• 极化性: 37.936428 Å^3
• 极化表面积: 79.18 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 0.42
• LOG S: -2.27
• 极化表面积: 79.18 Å^2
• 可自由旋转的化学键: 2