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

• ChemBase ID: 852884
• Molecular Formular: C24H28N4O
• Molecular Mass: 388.50532
• Monoisotopic Mass: 388.22631154
• SMILES: c12c(n[nH]c2CCN(C1)C(C(=O)N(C)C)C)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(C(N1CCc2c(C1)c(n[nH]2)C(c1ccccc1)c1ccccc1)C)N(C)C
• InChI: InChI=1S/C24H28N4O/c1-17(24(29)27(2)3)28-15-14-21-20(16-28)23(26-25-21)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,22H,14-16H2,1-3H3,(H,25,26)
• InChIKey: UWRFJHCIVJVACW-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,N-dimethylpropanamide
• IUPAC Traditional name: 2-[3-(diphenylmethyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropanamide
• Synonyms: 2-[3-(diphenylmethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.380881
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0065842
• LogD (pH = 7.4): 3.1916358
• Log P: 3.2796721
• Molar Refractivity: 117.7626 cm^3
• Polarizability: 44.750343 Å^3
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.41
• LOG S: -4.95
• Polar Surface Area: 52.23 Å^2
• Rotatable Bonds: 5