3-(4-fluorophenyl)-1-{[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}pyrrolidine

• ChemBase ID: 501779
• Molecular Formular: C23H25FN4O
• Molecular Mass: 392.4692032
• Monoisotopic Mass: 392.20123966
• SMILES: c1(c(n2c(n1)cccc2)CN1CC(c2ccc(cc2)F)CC1)C(=O)N1CCCC1
• Canonical SMILES: Fc1ccc(cc1)C1CCN(C1)Cc1c(nc2n1cccc2)C(=O)N1CCCC1
• InChI: InChI=1S/C23H25FN4O/c24-19-8-6-17(7-9-19)18-10-14-26(15-18)16-20-22(23(29)27-11-3-4-12-27)25-21-5-1-2-13-28(20)21/h1-2,5-9,13,18H,3-4,10-12,14-16H2
• InChIKey: QUXKLBJRXOEQTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenyl)-1-{[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}pyrrolidine
• IUPAC Traditional name: 3-(4-fluorophenyl)-1-{[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}pyrrolidine
• Synonyms: 3-{[3-(4-fluorophenyl)-1-pyrrolidinyl]methyl}-2-(1-pyrrolidinylcarbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.07528881
• LogD (pH = 7.4): 1.6841278
• Log P: 2.7578638
• Molar Refractivity: 112.7214 cm^3
• Polarizability: 41.937737 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.82
• LOG S: -4.33
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4