N-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-{imidazo[1,2-a]pyridin-2-yl}propanamide

• ChemBase ID: 315227
• Molecular Formular: C20H18FN5O
• Molecular Mass: 363.3882232
• Monoisotopic Mass: 363.14953844
• SMILES: n12c(nc(c1)CCC(=O)NCc1c(n[nH]c1)c1ccc(cc1)F)cccc2
• Canonical SMILES: O=C(NCc1c[nH]nc1c1ccc(cc1)F)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C20H18FN5O/c21-16-6-4-14(5-7-16)20-15(12-23-25-20)11-22-19(27)9-8-17-13-26-10-2-1-3-18(26)24-17/h1-7,10,12-13H,8-9,11H2,(H,22,27)(H,23,25)
• InChIKey: QVTNFUZTOHOTTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-{imidazo[1,2-a]pyridin-2-yl}propanamide
• IUPAC Traditional name: N-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-{imidazo[1,2-a]pyridin-2-yl}propanamide
• Synonyms: N-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-imidazo[1,2-a]pyridin-2-ylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.300043
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5974499
• LogD (pH = 7.4): 2.309577
• Log P: 2.3369505
• Molar Refractivity: 101.4207 cm^3
• Polarizability: 38.85226 Å^3
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.97
• LOG S: -3.53
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 6