methyl(oxolan-2-ylmethyl){[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine

• ChemBase编号: 346908
• 分子式: C19H26N4O2
• 平均质量: 342.43534
• 单一同位素质量: 342.20557609
• SMILES: c1(c(n2c(n1)cccc2)CN(CC1OCCC1)C)C(=O)N1CCCC1
• Canonical SMILES: CN(Cc1c(nc2n1cccc2)C(=O)N1CCCC1)CC1CCCO1
• InChI: InChI=1S/C19H26N4O2/c1-21(13-15-7-6-12-25-15)14-16-18(19(24)22-9-4-5-10-22)20-17-8-2-3-11-23(16)17/h2-3,8,11,15H,4-7,9-10,12-14H2,1H3
• InChIKey: QTNOLQVJLUZXTM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl(oxolan-2-ylmethyl){[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• IUPAC传统名: methyl(oxolan-2-ylmethyl){[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}amine
• 别名: N-methyl-1-[2-(pyrrolidin-1-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]-N-(tetrahydrofuran-2-ylmethyl)methanamine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.89173436
• LogD (pH = 7.4): 0.75785935
• Log P: 1.1291766
• 摩尔折射率: 98.6521 cm^3
• 极化性: 37.146145 Å^3
• 极化表面积: 50.08 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: 4
• 质子供体: 0
• Log P: 0.24
• LOG S: -3.21
• 极化表面积: 50.08 Å^2
• 可自由旋转的化学键: 5