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

• ChemBase ID: 458011
• Molecular Formular: C17H24N4O3S
• Molecular Mass: 364.46246
• Monoisotopic Mass: 364.15691165
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NCCC1N(S(=O)(=O)C)CCCC1
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NCCC1CCCCN1S(=O)(=O)C
• InChI: InChI=1S/C17H24N4O3S/c1-13-6-7-16-19-15(12-20(16)11-13)17(22)18-9-8-14-5-3-4-10-21(14)25(2,23)24/h6-7,11-12,14H,3-5,8-10H2,1-2H3,(H,18,22)
• InChIKey: OUFOIVCEJKRUPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.676998
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.43472987
• LogD (pH = 7.4): 0.44369248
• Log P: 0.4438081
• Molar Refractivity: 97.1496 cm^3
• Polarizability: 37.25342 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: 1.73
• LOG S: -3.33
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 4