2-(furan-2-yl)-1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}pyrrolidine

• ChemBase ID: 588244
• Molecular Formular: C17H17N3O2
• Molecular Mass: 295.33578
• Monoisotopic Mass: 295.1320768
• SMILES: c1(nc2n(c1)cccc2C)C(=O)N1C(c2occc2)CCC1
• Canonical SMILES: O=C(N1CCCC1c1ccco1)c1nc2n(c1)cccc2C
• InChI: InChI=1S/C17H17N3O2/c1-12-5-2-8-19-11-13(18-16(12)19)17(21)20-9-3-6-14(20)15-7-4-10-22-15/h2,4-5,7-8,10-11,14H,3,6,9H2,1H3
• InChIKey: NHLKJOFFCJBJLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}pyrrolidine
• IUPAC Traditional name: 2-(furan-2-yl)-1-{8-methylimidazo[1,2-a]pyridine-2-carbonyl}pyrrolidine
• Synonyms: 2-{[2-(2-furyl)pyrrolidin-1-yl]carbonyl}-8-methylimidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1991122
• LogD (pH = 7.4): 2.2069964
• Log P: 2.2070978
• Molar Refractivity: 83.6921 cm^3
• Polarizability: 30.994028 Å^3
• Polar Surface Area: 50.75 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.61
• LOG S: -2.73
• Polar Surface Area: 50.75 Å^2
• Rotatable Bonds: 2