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

• ChemBase ID: 735346
• Molecular Formular: C18H16N4O2
• Molecular Mass: 320.34524
• Monoisotopic Mass: 320.12732577
• SMILES: c12c(n[nH]c2CCN(C1)C(=O)C(=O)N)c1c2c(ccc1)cccc2
• Canonical SMILES: NC(=O)C(=O)N1CCc2c(C1)c(n[nH]2)c1cccc2c1cccc2
• InChI: InChI=1S/C18H16N4O2/c19-17(23)18(24)22-9-8-15-14(10-22)16(21-20-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2,(H2,19,23)(H,20,21)
• InChIKey: OPXBCWBNBYKXTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.6611595
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3520408
• LogD (pH = 7.4): 1.3521122
• Log P: 1.352113
• Molar Refractivity: 90.6883 cm^3
• Polarizability: 36.49792 Å^3
• Polar Surface Area: 92.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.23
• LOG S: -2.59
• Polar Surface Area: 92.08 Å^2
• Rotatable Bonds: 2