6-{2-benzyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carbonyl}pyridin-3-ol

• ChemBase ID: 735629
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: c12n(nc(c1)Cc1ccccc1)CCN(C(=O)c1ncc(cc1)O)C2
• Canonical SMILES: Oc1ccc(nc1)C(=O)N1CCn2c(C1)cc(n2)Cc1ccccc1
• InChI: InChI=1S/C19H18N4O2/c24-17-6-7-18(20-12-17)19(25)22-8-9-23-16(13-22)11-15(21-23)10-14-4-2-1-3-5-14/h1-7,11-12,24H,8-10,13H2
• InChIKey: VTGLNVROHHWHJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.81721
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.000029
• LogD (pH = 7.4): 1.8649447
• Log P: 2.00237
• Molar Refractivity: 105.1197 cm^3
• Polarizability: 35.427094 Å^3
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.36
• LOG S: -2.8
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 3