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

• ChemBase ID: 642423
• Molecular Formular: C24H28N4O
• Molecular Mass: 388.50532
• Monoisotopic Mass: 388.22631154
• SMILES: c12c(n[nH]c2CCN(C1)C(C(=O)NC(C)C)C)c1ccc(cc1)c1ccccc1
• Canonical SMILES: CC(NC(=O)C(N1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1)C)C
• InChI: InChI=1S/C24H28N4O/c1-16(2)25-24(29)17(3)28-14-13-22-21(15-28)23(27-26-22)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H,25,29)(H,26,27)
• InChIKey: VFYFEAKJJJZKFC-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)propanamide
• IUPAC Traditional name: N-isopropyl-2-[3-(4-phenylphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
• Synonyms: 2-(3-biphenyl-4-yl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-N-isopropylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.364151
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.193052
• LogD (pH = 7.4): 3.665709
• Log P: 3.8671799
• Molar Refractivity: 117.9508 cm^3
• Polarizability: 47.63909 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: 4.49
• LOG S: -5.87
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 5