5-(furan-2-carbonyl)-3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 458272
• Molecular Formular: C23H19N3O2
• Molecular Mass: 369.41586
• Monoisotopic Mass: 369.14772686
• SMILES: c12c(n[nH]c2CCN(C1)C(=O)c1occc1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: O=C(c1ccco1)N1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C23H19N3O2/c27-23(21-7-4-14-28-21)26-13-12-20-19(15-26)22(25-24-20)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-11,14H,12-13,15H2,(H,24,25)
• InChIKey: TWGKJTYRBUCXGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(furan-2-carbonyl)-3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 5-(furan-2-carbonyl)-3-(4-phenylphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine
• Synonyms: 3-biphenyl-4-yl-5-(2-furoyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.064687
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7715387
• LogD (pH = 7.4): 3.77163
• Log P: 3.7716312
• Molar Refractivity: 108.8186 cm^3
• Polarizability: 43.167717 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: 3.96
• LOG S: -5.28
• Polar Surface Area: 62.13 Å^2
• Rotatable Bonds: 3