N-benzyl-1-methyl-5-(3-phenylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 466945
• Molecular Formular: C24H28N4O
• Molecular Mass: 388.50532
• Monoisotopic Mass: 388.22631154
• SMILES: c12c(nn(c1CCN(C2)CCCc1ccccc1)C)C(=O)NCc1ccccc1
• Canonical SMILES: O=C(c1nn(c2c1CN(CCCc1ccccc1)CC2)C)NCc1ccccc1
• InChI: InChI=1S/C24H28N4O/c1-27-22-14-16-28(15-8-13-19-9-4-2-5-10-19)18-21(22)23(26-27)24(29)25-17-20-11-6-3-7-12-20/h2-7,9-12H,8,13-18H2,1H3,(H,25,29)
• InChIKey: UVQMYKIPRRDEOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-1-methyl-5-(3-phenylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-benzyl-1-methyl-5-(3-phenylpropyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-benzyl-1-methyl-5-(3-phenylpropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.091748
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2241431
• LogD (pH = 7.4): 2.9909406
• Log P: 3.7160337
• Molar Refractivity: 128.9859 cm^3
• Polarizability: 44.466755 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.65
• LOG S: -5.83
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7