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

• ChemBase ID: 466760
• Molecular Formular: C23H26N4O
• Molecular Mass: 374.47874
• Monoisotopic Mass: 374.21066147
• SMILES: c12c(n[nH]c1CCN(C2)CC(=O)NC(C)C)c1ccc(cc1)c1ccccc1
• Canonical SMILES: CC(NC(=O)CN1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1)C
• InChI: InChI=1S/C23H26N4O/c1-16(2)24-22(28)15-27-13-12-21-20(14-27)23(26-25-21)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,24,28)(H,25,26)
• InChIKey: PJZLZWPXSBETKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 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-[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-isopropylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.365045
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.8793551
• LogD (pH = 7.4): 3.177747
• Log P: 3.2984154
• Molar Refractivity: 113.4569 cm^3
• Polarizability: 45.792084 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 4.14
• LOG S: -5.47
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 5