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

• ChemBase编号: 372596
• 分子式: C19H25N5O3
• 平均质量: 371.4335
• 单一同位素质量: 371.19573969
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NC1CCN(C(=O)N2CCOCC2)CC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NC1CCN(CC1)C(=O)N1CCOCC1
• InChI: InChI=1S/C19H25N5O3/c1-14-2-3-17-21-16(13-24(17)12-14)18(25)20-15-4-6-22(7-5-15)19(26)23-8-10-27-11-9-23/h2-3,12-13,15H,4-11H2,1H3,(H,20,25)
• InChIKey: IXVWYNUONQZYPP-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 14.771966
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.12692028
• LogD (pH = 7.4): -0.11797132
• Log P: -0.11785589
• 摩尔折射率: 101.8476 cm^3
• 极化性: 37.940193 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: 0.78
• LOG S: -2.57
• 极化表面积: 79.18 Å^2
• 可自由旋转的化学键: 2