3-fluoro-N-[2-(1-methanesulfonylpiperidin-2-yl)ethyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 558223
• Molecular Formular: C17H23FN4O3S
• Molecular Mass: 382.4529232
• Monoisotopic Mass: 382.14748984
• SMILES: c1(c(n2c(n1)ccc(c2)C)F)C(=O)NCCC1N(S(=O)(=O)C)CCCC1
• Canonical SMILES: Cc1ccc2n(c1)c(F)c(n2)C(=O)NCCC1CCCCN1S(=O)(=O)C
• InChI: InChI=1S/C17H23FN4O3S/c1-12-6-7-14-20-15(16(18)21(14)11-12)17(23)19-9-8-13-5-3-4-10-22(13)26(2,24)25/h6-7,11,13H,3-5,8-10H2,1-2H3,(H,19,23)
• InChIKey: SJBXXGQCOSFFEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-N-[2-(1-methanesulfonylpiperidin-2-yl)ethyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 3-fluoro-N-[2-(1-methanesulfonylpiperidin-2-yl)ethyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 3-fluoro-6-methyl-N-{2-[1-(methylsulfonyl)piperidin-2-yl]ethyl}imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.585883
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.47512555
• LogD (pH = 7.4): 0.47524723
• Log P: 0.4752742
• Molar Refractivity: 97.3205 cm^3
• Polarizability: 36.994892 Å^3
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.61
• LOG S: -3.36
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 4