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

• ChemBase ID: 571319
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: c12c(n[nH]c2CCN(C1)C(C(=O)NC)C)c1ccc(cc1)c1ccccc1
• Canonical SMILES: CNC(=O)C(N1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1)C
• InChI: InChI=1S/C22H24N4O/c1-15(22(27)23-2)26-13-12-20-19(14-26)21(25-24-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,23,27)(H,24,25)
• InChIKey: GTQCSWDCJBNPAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
• IUPAC Traditional name: N-methyl-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-methylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.371298
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4765881
• LogD (pH = 7.4): 2.913311
• Log P: 3.0937967
• Molar Refractivity: 108.7834 cm^3
• Polarizability: 43.945072 Å^3
• Polar Surface Area: 61.02 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: 3.61
• LOG S: -4.91
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 4