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

• ChemBase ID: 681056
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: c12c(n[nH]c1CCN(C2)CC(=O)NCC)c1ccc(cc1)c1ccccc1
• Canonical SMILES: CCNC(=O)CN1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C22H24N4O/c1-2-23-21(27)15-26-13-12-20-19(14-26)22(25-24-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,23,27)(H,24,25)
• InChIKey: QMSMSYNSJSUCRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.368674
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5029806
• LogD (pH = 7.4): 2.7710357
• Log P: 2.8818405
• Molar Refractivity: 109.0381 cm^3
• Polarizability: 43.945072 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: 3.8
• LOG S: -5.07
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 5