methyl 5-{[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

• ChemBase ID: 431216
• Molecular Formular: C15H14N4O6S
• Molecular Mass: 378.35986
• Monoisotopic Mass: 378.06340519
• SMILES: S(=O)(=O)(c1oc(c2oncc2)cc1)N1Cc2n(nc(c2)C(=O)OC)CC1
• Canonical SMILES: COC(=O)c1nn2c(c1)CN(CC2)S(=O)(=O)c1ccc(o1)c1ccno1
• InChI: InChI=1S/C15H14N4O6S/c1-23-15(20)11-8-10-9-18(6-7-19(10)17-11)26(21,22)14-3-2-12(24-14)13-4-5-16-25-13/h2-5,8H,6-7,9H2,1H3
• InChIKey: QKXGDGYSQONLIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-{[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• IUPAC Traditional name: methyl 5-[5-(1,2-oxazol-5-yl)furan-2-ylsulfonyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• Synonyms: methyl 5-[(5-isoxazol-5-yl-2-furyl)sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.19807443
• LogD (pH = 7.4): 0.19807489
• Log P: 0.1980749
• Molar Refractivity: 99.187 cm^3
• Polarizability: 35.24328 Å^3
• Polar Surface Area: 120.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: 1.27
• LOG S: -3.05
• Polar Surface Area: 120.67 Å^2
• Rotatable Bonds: 4