5-(furan-3-carbonyl)-3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 523881
• Molecular Formular: C23H19N3O2
• Molecular Mass: 369.41586
• Monoisotopic Mass: 369.14772686
• SMILES: c12c(n[nH]c2CCN(C(=O)c2cocc2)C1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: O=C(c1cocc1)N1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C23H19N3O2/c27-23(19-11-13-28-15-19)26-12-10-21-20(14-26)22(25-24-21)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,11,13,15H,10,12,14H2,(H,24,25)
• InChIKey: WEFWYTBBZCBQDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(furan-3-carbonyl)-3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 5-(furan-3-carbonyl)-3-(4-phenylphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine
• Synonyms: 3-biphenyl-4-yl-5-(3-furoyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.064698
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8515377
• LogD (pH = 7.4): 3.8516288
• Log P: 3.85163
• Molar Refractivity: 108.9411 cm^3
• Polarizability: 43.16412 Å^3
• Polar Surface Area: 62.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.79
• LOG S: -5.13
• Polar Surface Area: 62.13 Å^2
• Rotatable Bonds: 3