2-[3-(diphenylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-N-methylacetamide

• ChemBase ID: 525986
• Molecular Formular: C22H24N4O
• Molecular Mass: 360.45216
• Monoisotopic Mass: 360.19501141
• SMILES: c12c(n[nH]c1CCN(C2)CC(=O)NC)C(c1ccccc1)c1ccccc1
• Canonical SMILES: CNC(=O)CN1CCc2c(C1)c(n[nH]2)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H24N4O/c1-23-20(27)15-26-13-12-19-18(14-26)22(25-24-19)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,21H,12-15H2,1H3,(H,23,27)(H,24,25)
• InChIKey: KESLZFDVXBZBBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(diphenylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-N-methylacetamide
• IUPAC Traditional name: 2-[3-(diphenylmethyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-N-methylacetamide
• Synonyms: 2-[3-(diphenylmethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.33494
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6355042
• LogD (pH = 7.4): 2.4550052
• Log P: 2.4872317
• Molar Refractivity: 108.372 cm^3
• Polarizability: 41.061073 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: 3.27
• LOG S: -4.62
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 5