3-(2-fluorophenyl)-1-{imidazo[1,2-a]pyridine-6-carbonyl}pyrrolidine

• ChemBase ID: 511637
• Molecular Formular: C18H16FN3O
• Molecular Mass: 309.3375432
• Monoisotopic Mass: 309.12774037
• SMILES: c1(C(=O)N2CC(c3c(F)cccc3)CC2)cn2c(ncc2)cc1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)N1CCC(C1)c1ccccc1F
• InChI: InChI=1S/C18H16FN3O/c19-16-4-2-1-3-15(16)13-7-9-22(11-13)18(23)14-5-6-17-20-8-10-21(17)12-14/h1-6,8,10,12-13H,7,9,11H2
• InChIKey: SPHSMYFSWIHUTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenyl)-1-{imidazo[1,2-a]pyridine-6-carbonyl}pyrrolidine
• IUPAC Traditional name: 3-(2-fluorophenyl)-1-{imidazo[1,2-a]pyridine-6-carbonyl}pyrrolidine
• Synonyms: 6-{[3-(2-fluorophenyl)pyrrolidin-1-yl]carbonyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4771229
• LogD (pH = 7.4): 2.0803738
• Log P: 2.104818
• Molar Refractivity: 87.1322 cm^3
• Polarizability: 32.01454 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.71
• LOG S: -2.92
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2