2-(4-methanesulfonylphenyl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide

• ChemBase ID: 709842
• Molecular Formular: C17H17N3O3S
• Molecular Mass: 343.40018
• Monoisotopic Mass: 343.09906242
• SMILES: S(=O)(=O)(c1ccc(CC(=O)NCc2c3n(nc2)cccc3)cc1)C
• Canonical SMILES: O=C(Cc1ccc(cc1)S(=O)(=O)C)NCc1cnn2c1cccc2
• InChI: InChI=1S/C17H17N3O3S/c1-24(22,23)15-7-5-13(6-8-15)10-17(21)18-11-14-12-19-20-9-3-2-4-16(14)20/h2-9,12H,10-11H2,1H3,(H,18,21)
• InChIKey: FPNMSKXXPMRRRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methanesulfonylphenyl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide
• IUPAC Traditional name: 2-(4-methanesulfonylphenyl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide
• Synonyms: 2-[4-(methylsulfonyl)phenyl]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 102.6206 cm^3
• Polarizability: 36.25038 Å^3
• Polar Surface Area: 80.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.590798
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1223893
• LogD (pH = 7.4): 1.1224457
• Log P: 1.1224464

供应商提供(Chembridge)

• Polar Surface Area: 80.54 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 1
• Log P: 0.1
• LOG S: -3.1