5-(1H-1,3-benzodiazol-2-ylmethyl)-N-benzyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 549905
• Molecular Formular: C23H24N6O
• Molecular Mass: 400.47626
• Monoisotopic Mass: 400.20115942
• SMILES: c12c(nn(c1CCN(C2)Cc1nc2c([nH]1)cccc2)C)C(=O)NCc1ccccc1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)Cc1nc2c([nH]1)cccc2)C)NCc1ccccc1
• InChI: InChI=1S/C23H24N6O/c1-28-20-11-12-29(15-21-25-18-9-5-6-10-19(18)26-21)14-17(20)22(27-28)23(30)24-13-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,24,30)(H,25,26)
• InChIKey: YCVUVVBDZAMZSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1H-1,3-benzodiazol-2-ylmethyl)-N-benzyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-(1H-1,3-benzodiazol-2-ylmethyl)-N-benzyl-1-methyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-(1H-benzimidazol-2-ylmethyl)-N-benzyl-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.479078
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8652798
• LogD (pH = 7.4): 2.3312957
• Log P: 2.3422284
• Molar Refractivity: 127.8674 cm^3
• Polarizability: 45.170723 Å^3
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.59
• LOG S: -5.0
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 5