N-[(1-methanesulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 520570
• Molecular Formular: C15H20N4O3S
• Molecular Mass: 336.4093
• Monoisotopic Mass: 336.12561152
• SMILES: n12c(C(=O)NCC3CN(S(=O)(=O)C)CCC3)cccc1ccn2
• Canonical SMILES: O=C(c1cccc2n1ncc2)NCC1CCCN(C1)S(=O)(=O)C
• InChI: InChI=1S/C15H20N4O3S/c1-23(21,22)18-9-3-4-12(11-18)10-16-15(20)14-6-2-5-13-7-8-17-19(13)14/h2,5-8,12H,3-4,9-11H2,1H3,(H,16,20)
• InChIKey: VPYHRGDFTBCTAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-methanesulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[(1-methanesulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-{[1-(methylsulfonyl)piperidin-3-yl]methyl}pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.686289
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.2516578
• LogD (pH = 7.4): -0.25160348
• Log P: -0.25160277
• Molar Refractivity: 97.873 cm^3
• Polarizability: 34.30121 Å^3
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.65
• LOG S: -2.21
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 3