N-(1,1-dioxo-1λ6-thiolan-3-yl)-N-ethylpyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 543908
• Molecular Formular: C14H17N3O3S
• Molecular Mass: 307.36808
• Monoisotopic Mass: 307.09906242
• SMILES: c1(C(=O)N(C2CS(=O)(=O)CC2)CC)c2n(nc1)cccc2
• Canonical SMILES: CCN(C(=O)c1cnn2c1cccc2)C1CCS(=O)(=O)C1
• InChI: InChI=1S/C14H17N3O3S/c1-2-16(11-6-8-21(19,20)10-11)14(18)12-9-15-17-7-4-3-5-13(12)17/h3-5,7,9,11H,2,6,8,10H2,1H3
• InChIKey: OQERXHJMRVNOIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,1-dioxo-1λ^6-thiolan-3-yl)-N-ethylpyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-(1,1-dioxo-1λ^6-thiolan-3-yl)-N-ethylpyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-(1,1-dioxidotetrahydro-3-thienyl)-N-ethylpyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.061943613
• LogD (pH = 7.4): -0.061933145
• Log P: -0.06193301
• Molar Refractivity: 90.1493 cm^3
• Polarizability: 31.317324 Å^3
• Polar Surface Area: 71.75 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.69
• LOG S: -2.16
• Polar Surface Area: 71.75 Å^2
• Rotatable Bonds: 3