1-ethyl-3-methyl-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1H-pyrazole-4-sulfonamide

• ChemBase ID: 828487
• Molecular Formular: C14H17N5O2S
• Molecular Mass: 319.38208
• Monoisotopic Mass: 319.11029581
• SMILES: c1(S(=O)(=O)NCc2c3n(nc2)cccc3)c(nn(c1)CC)C
• Canonical SMILES: CCn1nc(c(c1)S(=O)(=O)NCc1cnn2c1cccc2)C
• InChI: InChI=1S/C14H17N5O2S/c1-3-18-10-14(11(2)17-18)22(20,21)16-9-12-8-15-19-7-5-4-6-13(12)19/h4-8,10,16H,3,9H2,1-2H3
• InChIKey: ZTUUGGBVTRPCTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methyl-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}-1H-pyrazole-4-sulfonamide
• IUPAC Traditional name: 1-ethyl-3-methyl-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}pyrazole-4-sulfonamide
• Synonyms: 1-ethyl-3-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.061644
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9732065
• LogD (pH = 7.4): 0.96511424
• Log P: 0.9734011
• Molar Refractivity: 105.8886 cm^3
• Polarizability: 32.859283 Å^3
• Polar Surface Area: 81.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.55
• LOG S: -2.85
• Polar Surface Area: 81.29 Å^2
• Rotatable Bonds: 4