5-[2-(pyrrolidine-1-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrazin-2-ol

• ChemBase ID: 751302
• Molecular Formular: C16H18N6O3
• Molecular Mass: 342.35252
• Monoisotopic Mass: 342.14403847
• SMILES: c1(nn2c(c1)CN(C(=O)c1ncc(nc1)O)CC2)C(=O)N1CCCC1
• Canonical SMILES: Oc1cnc(cn1)C(=O)N1CCn2c(C1)cc(n2)C(=O)N1CCCC1
• InChI: InChI=1S/C16H18N6O3/c23-14-9-17-13(8-18-14)16(25)21-5-6-22-11(10-21)7-12(19-22)15(24)20-3-1-2-4-20/h7-9H,1-6,10H2,(H,18,23)
• InChIKey: WEXVJRBGTKEMOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(pyrrolidine-1-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrazin-2-ol
• IUPAC Traditional name: 5-[2-(pyrrolidine-1-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrazin-2-ol
• Synonyms: 5-{[2-(pyrrolidin-1-ylcarbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]carbonyl}pyrazin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.68986
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.49694303
• LogD (pH = 7.4): -0.49910414
• Log P: -0.4969145
• Molar Refractivity: 100.0037 cm^3
• Polarizability: 32.79783 Å^3
• Polar Surface Area: 104.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.68
• LOG S: -2.43
• Polar Surface Area: 104.45 Å^2
• Rotatable Bonds: 2