N-[2-(ethanesulfonyl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 688932
• Molecular Formular: C18H18FN3O3S
• Molecular Mass: 375.4172232
• Monoisotopic Mass: 375.10529067
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NCCS(=O)(=O)CC
• Canonical SMILES: CCS(=O)(=O)CCNC(=O)c1ccc2n(c1)cc(n2)c1ccc(cc1)F
• InChI: InChI=1S/C18H18FN3O3S/c1-2-26(24,25)10-9-20-18(23)14-5-8-17-21-16(12-22(17)11-14)13-3-6-15(19)7-4-13/h3-8,11-12H,2,9-10H2,1H3,(H,20,23)
• InChIKey: HDMPPYJDEYBOEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(ethanesulfonyl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[2-(ethanesulfonyl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[2-(ethylsulfonyl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.226752
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0063683
• LogD (pH = 7.4): 1.1952546
• Log P: 1.1983331
• Molar Refractivity: 97.6251 cm^3
• Polarizability: 38.285397 Å^3
• Polar Surface Area: 80.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.45
• LOG S: -3.17
• Polar Surface Area: 80.54 Å^2
• Rotatable Bonds: 6