N-[1-(2-methanesulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 782277
• Molecular Formular: C16H22N4O3S
• Molecular Mass: 350.43588
• Monoisotopic Mass: 350.14126158
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NC1CCN(CCS(=O)(=O)C)CC1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)NC1CCN(CC1)CCS(=O)(=O)C
• InChI: InChI=1S/C16H22N4O3S/c1-24(22,23)11-10-19-7-4-14(5-8-19)18-16(21)13-2-3-15-17-6-9-20(15)12-13/h2-3,6,9,12,14H,4-5,7-8,10-11H2,1H3,(H,18,21)
• InChIKey: WMJMKIIPHOWWHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-methanesulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[1-(2-methanesulfonylethyl)piperidin-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-{1-[2-(methylsulfonyl)ethyl]piperidin-4-yl}imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.376443
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.145254
• LogD (pH = 7.4): -1.5409704
• Log P: -1.4596356
• Molar Refractivity: 93.43 cm^3
• Polarizability: 35.86721 Å^3
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.71
• LOG S: -2.46
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 5