2-(4-fluorophenyl)-N-[3-(propan-2-yloxy)propyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 677393
• Molecular Formular: C20H22FN3O2
• Molecular Mass: 355.4059832
• Monoisotopic Mass: 355.16960518
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NCCCOC(C)C
• Canonical SMILES: CC(OCCCNC(=O)c1ccc2n(c1)cc(n2)c1ccc(cc1)F)C
• InChI: InChI=1S/C20H22FN3O2/c1-14(2)26-11-3-10-22-20(25)16-6-9-19-23-18(13-24(19)12-16)15-4-7-17(21)8-5-15/h4-9,12-14H,3,10-11H2,1-2H3,(H,22,25)
• InChIKey: QIDCCTCWKOCJHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-N-[3-(propan-2-yloxy)propyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: 2-(4-fluorophenyl)-N-(3-isopropoxypropyl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: 2-(4-fluorophenyl)-N-(3-isopropoxypropyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.243017
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6038995
• LogD (pH = 7.4): 2.7929292
• Log P: 2.7960107
• Molar Refractivity: 99.9684 cm^3
• Polarizability: 38.45733 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.9
• LOG S: -4.27
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 7