N-{[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl}imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 794374
• Molecular Formular: C19H19FN4O
• Molecular Mass: 338.3787632
• Monoisotopic Mass: 338.15428947
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCC1CN(c2c(F)cccc2)CC1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)NCC1CCN(C1)c1ccccc1F
• InChI: InChI=1S/C19H19FN4O/c20-16-3-1-2-4-17(16)23-9-7-14(12-23)11-22-19(25)15-5-6-18-21-8-10-24(18)13-15/h1-6,8,10,13-14H,7,9,11-12H2,(H,22,25)
• InChIKey: GKMQJMJSUOTITP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.27391
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3194457
• LogD (pH = 7.4): 1.9271327
• Log P: 1.9520829
• Molar Refractivity: 96.1957 cm^3
• Polarizability: 35.005783 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.32
• LOG S: -3.65
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4