2-(furan-2-yl)-1-{2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carbonyl}pyrrolidine

• ChemBase ID: 432062
• Molecular Formular: C18H20N2O3
• Molecular Mass: 312.363
• Monoisotopic Mass: 312.14739251
• SMILES: c1(C(=O)N2C(c3occc3)CCC2)c(nc2c(c1)CCC2)OC
• Canonical SMILES: COc1nc2CCCc2cc1C(=O)N1CCCC1c1ccco1
• InChI: InChI=1S/C18H20N2O3/c1-22-17-13(11-12-5-2-6-14(12)19-17)18(21)20-9-3-7-15(20)16-8-4-10-23-16/h4,8,10-11,15H,2-3,5-7,9H2,1H3
• InChIKey: OCBAPZVJRIZPSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-1-{2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carbonyl}pyrrolidine
• IUPAC Traditional name: 2-(furan-2-yl)-1-{2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carbonyl}pyrrolidine
• Synonyms: 3-{[2-(2-furyl)pyrrolidin-1-yl]carbonyl}-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.62171
• LogD (pH = 7.4): 2.6222312
• Log P: 2.622238
• Molar Refractivity: 86.2217 cm^3
• Polarizability: 32.54185 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.51
• LOG S: -3.62
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 3