3-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)pyridin-2-ol

• ChemBase ID: 473699
• Molecular Formular: C14H14N6O
• Molecular Mass: 282.30056
• Monoisotopic Mass: 282.1229091
• SMILES: c1(c2n(c3c(nccc3)O)ccn2)nn2c(c1)CNCC2
• Canonical SMILES: Oc1ncccc1n1ccnc1c1nn2c(c1)CNCC2
• InChI: InChI=1S/C14H14N6O/c21-14-12(2-1-3-17-14)19-6-5-16-13(19)11-8-10-9-15-4-7-20(10)18-11/h1-3,5-6,8,15H,4,7,9H2,(H,17,21)
• InChIKey: ULNXIMYNRAZTFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)pyridin-2-ol
• IUPAC Traditional name: 3-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazol-1-yl)pyridin-2-ol
• Synonyms: 3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1H-imidazol-1-yl]-2-pyridinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.007305
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.3748838
• LogD (pH = 7.4): 0.38806003
• Log P: 0.9549357
• Molar Refractivity: 108.9334 cm^3
• Polarizability: 30.454803 Å^3
• Polar Surface Area: 80.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.55
• LOG S: -0.24
• Polar Surface Area: 80.79 Å^2
• Rotatable Bonds: 2