5-(4-methyl-1,2,3-thiadiazole-5-carbonyl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 625029
• Molecular Formular: C17H16N6O2S
• Molecular Mass: 368.41294
• Monoisotopic Mass: 368.10554478
• SMILES: c1(C(=O)N2Cc3n(nc(c3)C(=O)Nc3ccccc3)CC2)c(nns1)C
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)C(=O)c1snnc1C)Nc1ccccc1
• InChI: InChI=1S/C17H16N6O2S/c1-11-15(26-21-19-11)17(25)22-7-8-23-13(10-22)9-14(20-23)16(24)18-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,18,24)
• InChIKey: ISUVVKSHRMODLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methyl-1,2,3-thiadiazole-5-carbonyl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(4-methyl-1,2,3-thiadiazole-5-carbonyl)-N-phenyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.548346
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5023292
• LogD (pH = 7.4): 1.502327
• Log P: 1.50233
• Molar Refractivity: 110.1894 cm^3
• Polarizability: 35.78047 Å^3
• Polar Surface Area: 93.01 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: 0.65
• LOG S: -2.44
• Polar Surface Area: 93.01 Å^2
• Rotatable Bonds: 3