5-(2-methoxypyridin-4-yl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one

• ChemBase ID: 491972
• Molecular Formular: C12H10N4O2
• Molecular Mass: 242.2334
• Monoisotopic Mass: 242.08037558
• SMILES: n12c([nH]c(cc1=O)c1cc(ncc1)OC)ccn2
• Canonical SMILES: COc1nccc(c1)c1cc(=O)n2c([nH]1)ccn2
• InChI: InChI=1S/C12H10N4O2/c1-18-11-6-8(2-4-13-11)9-7-12(17)16-10(15-9)3-5-14-16/h2-7,15H,1H3
• InChIKey: ARFHRBODXIGULE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methoxypyridin-4-yl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
• IUPAC Traditional name: 5-(2-methoxypyridin-4-yl)-4H-pyrazolo[1,5-a]pyrimidin-7-one
• Synonyms: 5-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.205291
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6215269
• LogD (pH = 7.4): 0.622507
• Log P: 0.62258494
• Molar Refractivity: 67.1298 cm^3
• Polarizability: 24.19731 Å^3
• Polar Surface Area: 69.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.66
• LOG S: -1.53
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 2