2-methanesulfonamido-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide

• ChemBase ID: 746694
• Molecular Formular: C11H14N4O3S
• Molecular Mass: 282.31886
• Monoisotopic Mass: 282.07866133
• SMILES: S(=O)(=O)(NCC(=O)NCc1c2n(nc1)cccc2)C
• Canonical SMILES: O=C(CNS(=O)(=O)C)NCc1cnn2c1cccc2
• InChI: InChI=1S/C11H14N4O3S/c1-19(17,18)14-8-11(16)12-6-9-7-13-15-5-3-2-4-10(9)15/h2-5,7,14H,6,8H2,1H3,(H,12,16)
• InChIKey: FGOJHUBIJNNOJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.149654
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1625121
• LogD (pH = 7.4): -1.1631312
• Log P: -1.1624464
• Molar Refractivity: 80.2996 cm^3
• Polarizability: 27.888777 Å^3
• Polar Surface Area: 92.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.73
• LOG S: -1.95
• Polar Surface Area: 92.57 Å^2
• Rotatable Bonds: 4