4-ethanesulfonamido-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}benzamide

• ChemBase ID: 522803
• Molecular Formular: C17H18N4O3S
• Molecular Mass: 358.41482
• Monoisotopic Mass: 358.10996146
• SMILES: S(=O)(=O)(Nc1ccc(C(=O)NCc2c3n(nc2)cccc3)cc1)CC
• Canonical SMILES: CCS(=O)(=O)Nc1ccc(cc1)C(=O)NCc1cnn2c1cccc2
• InChI: InChI=1S/C17H18N4O3S/c1-2-25(23,24)20-15-8-6-13(7-9-15)17(22)18-11-14-12-19-21-10-4-3-5-16(14)21/h3-10,12,20H,2,11H2,1H3,(H,18,22)
• InChIKey: FANBVOKLEIVIHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethanesulfonamido-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}benzamide
• IUPAC Traditional name: 4-ethanesulfonamido-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}benzamide
• Synonyms: 4-[(ethylsulfonyl)amino]-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.210257
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1839765
• LogD (pH = 7.4): 1.1782031
• Log P: 1.1841089
• Molar Refractivity: 106.1212 cm^3
• Polarizability: 37.21309 Å^3
• Polar Surface Area: 92.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.1
• LOG S: -3.61
• Polar Surface Area: 92.57 Å^2
• Rotatable Bonds: 5