methyl 5-(6-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

• ChemBase ID: 555329
• Molecular Formular: C15H16N4O4
• Molecular Mass: 316.31194
• Monoisotopic Mass: 316.11715501
• SMILES: c1(C(=O)N2Cc3n(nc(c3)C(=O)OC)CC2)c(=O)[nH]c(cc1)C
• Canonical SMILES: COC(=O)c1nn2c(c1)CN(CC2)C(=O)c1ccc([nH]c1=O)C
• InChI: InChI=1S/C15H16N4O4/c1-9-3-4-11(13(20)16-9)14(21)18-5-6-19-10(8-18)7-12(17-19)15(22)23-2/h3-4,7H,5-6,8H2,1-2H3,(H,16,20)
• InChIKey: WRDQFWSUBJLSMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-(6-methyl-2-oxo-1,2-dihydropyridine-3-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• IUPAC Traditional name: methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• Synonyms: methyl 5-[(6-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.751303
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.46327865
• LogD (pH = 7.4): -0.46344745
• Log P: -0.46327615
• Molar Refractivity: 94.6321 cm^3
• Polarizability: 30.566242 Å^3
• Polar Surface Area: 93.53 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: -0.23
• LOG S: -2.62
• Polar Surface Area: 97.29 Å^2
• Rotatable Bonds: 3