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

• ChemBase ID: 534398
• Molecular Formular: C20H21FN4O
• Molecular Mass: 352.4053432
• Monoisotopic Mass: 352.16993953
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NCC1CN(c2c(F)cccc2)CC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NCC1CCN(C1)c1ccccc1F
• InChI: InChI=1S/C20H21FN4O/c1-14-6-7-19-23-17(13-25(19)11-14)20(26)22-10-15-8-9-24(12-15)18-5-3-2-4-16(18)21/h2-7,11,13,15H,8-10,12H2,1H3,(H,22,26)
• InChIKey: IZRVRSLMURDVDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.673317
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8422556
• LogD (pH = 7.4): 2.8512387
• Log P: 2.8513546
• Molar Refractivity: 100.8649 cm^3
• Polarizability: 36.771748 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: 3.14
• LOG S: -4.45
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4