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

• ChemBase ID: 413721
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: c1(nc2n(c1CNCCc1occc1)cccc2)C(=O)N1CCCC1
• Canonical SMILES: O=C(c1nc2n(c1CNCCc1ccco1)cccc2)N1CCCC1
• InChI: InChI=1S/C19H22N4O2/c24-19(22-10-3-4-11-22)18-16(23-12-2-1-7-17(23)21-18)14-20-9-8-15-6-5-13-25-15/h1-2,5-7,12-13,20H,3-4,8-11,14H2
• InChIKey: OPQKHGYTDGLDAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(furan-2-yl)ethyl]({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• IUPAC Traditional name: [2-(furan-2-yl)ethyl]({[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl})amine
• Synonyms: 2-(2-furyl)-N-{[2-(1-pyrrolidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5985184
• LogD (pH = 7.4): 0.089493714
• Log P: 1.172219
• Molar Refractivity: 96.9716 cm^3
• Polarizability: 36.199764 Å^3
• Polar Surface Area: 62.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.29
• LOG S: -3.56
• Polar Surface Area: 62.78 Å^2
• Rotatable Bonds: 6