2-oxo-2-[3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-N-(propan-2-yl)acetamide

• ChemBase ID: 859342
• Molecular Formular: C23H24N4O2
• Molecular Mass: 388.46226
• Monoisotopic Mass: 388.18992603
• SMILES: c12c(n[nH]c2CCN(C(=O)C(=O)NC(C)C)C1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: CC(NC(=O)C(=O)N1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1)C
• InChI: InChI=1S/C23H24N4O2/c1-15(2)24-22(28)23(29)27-13-12-20-19(14-27)21(26-25-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,24,28)(H,25,26)
• InChIKey: AFNHXTLRQPGBDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-2-[3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-N-(propan-2-yl)acetamide
• IUPAC Traditional name: N-isopropyl-2-oxo-2-[3-(4-phenylphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]acetamide
• Synonyms: 2-(3-biphenyl-4-yl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-N-isopropyl-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.082493
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.0068283
• LogD (pH = 7.4): 3.0069187
• Log P: 3.0069208
• Molar Refractivity: 113.4384 cm^3
• Polarizability: 45.486435 Å^3
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.87
• LOG S: -4.48
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 4