3-[3-(naphthalen-1-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridin-2-ol

• ChemBase ID: 537495
• Molecular Formular: C22H18N4O2
• Molecular Mass: 370.40392
• Monoisotopic Mass: 370.14297584
• SMILES: c12c(n[nH]c2CCN(C(=O)c2c(nccc2)O)C1)c1c2c(ccc1)cccc2
• Canonical SMILES: Oc1ncccc1C(=O)N1CCc2c(C1)c(n[nH]2)c1cccc2c1cccc2
• InChI: InChI=1S/C22H18N4O2/c27-21-17(9-4-11-23-21)22(28)26-12-10-19-18(13-26)20(25-24-19)16-8-3-6-14-5-1-2-7-15(14)16/h1-9,11H,10,12-13H2,(H,23,27)(H,24,25)
• InChIKey: HPJSIFKEFKHWCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(naphthalen-1-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridin-2-ol
• IUPAC Traditional name: 3-[3-(naphthalen-1-yl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridin-2-ol
• Synonyms: 3-{[3-(1-naphthyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl}pyridin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.013568
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.7767518
• LogD (pH = 7.4): 3.7758133
• Log P: 3.7768557
• Molar Refractivity: 107.8792 cm^3
• Polarizability: 42.552097 Å^3
• Polar Surface Area: 82.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.76
• LOG S: -3.4
• Polar Surface Area: 82.11 Å^2
• Rotatable Bonds: 2