3-{imidazo[1,2-a]pyridin-2-yl}-N-[(1-methanesulfonylpiperidin-3-yl)methyl]propanamide

• ChemBase ID: 479313
• Molecular Formular: C17H24N4O3S
• Molecular Mass: 364.46246
• Monoisotopic Mass: 364.15691165
• SMILES: S(=O)(=O)(N1CC(CNC(=O)CCc2nc3n(c2)cccc3)CCC1)C
• Canonical SMILES: O=C(CCc1nc2n(c1)cccc2)NCC1CCCN(C1)S(=O)(=O)C
• InChI: InChI=1S/C17H24N4O3S/c1-25(23,24)21-10-4-5-14(12-21)11-18-17(22)8-7-15-13-20-9-3-2-6-16(20)19-15/h2-3,6,9,13-14H,4-5,7-8,10-12H2,1H3,(H,18,22)
• InChIKey: GGKBSBSARLLHES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[(1-methanesulfonylpiperidin-3-yl)methyl]propanamide
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-N-[(1-methanesulfonylpiperidin-3-yl)methyl]propanamide
• Synonyms: 3-imidazo[1,2-a]pyridin-2-yl-N-{[1-(methylsulfonyl)piperidin-3-yl]methyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.375117
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3559663
• LogD (pH = 7.4): -0.6439595
• Log P: -0.61658746
• Molar Refractivity: 96.1826 cm^3
• Polarizability: 37.529667 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: 4
• H Donor: 1
• Log P: 0.54
• LOG S: -2.32
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 5