3,5-dimethyl-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1,2-oxazole-4-sulfonamide

• ChemBase ID: 841657
• Molecular Formular: C13H14N4O3S
• Molecular Mass: 306.34026
• Monoisotopic Mass: 306.07866133
• SMILES: S(=O)(=O)(c1c(onc1C)C)NCc1c2n(nc1)cccc2
• Canonical SMILES: Cc1onc(c1S(=O)(=O)NCc1cnn2c1cccc2)C
• InChI: InChI=1S/C13H14N4O3S/c1-9-13(10(2)20-16-9)21(18,19)15-8-11-7-14-17-6-4-3-5-12(11)17/h3-7,15H,8H2,1-2H3
• InChIKey: ULYYUVGPQKMZQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethyl-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1,2-oxazole-4-sulfonamide
• IUPAC Traditional name: 3,5-dimethyl-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1,2-oxazole-4-sulfonamide
• Synonyms: 3,5-dimethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)isoxazole-4-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.344764
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7522318
• LogD (pH = 7.4): 0.71171266
• Log P: 0.75283986
• Molar Refractivity: 88.8283 cm^3
• Polarizability: 30.233276 Å^3
• Polar Surface Area: 89.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.99
• LOG S: -2.28
• Polar Surface Area: 89.5 Å^2
• Rotatable Bonds: 3