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

• ChemBase ID: 455393
• Molecular Formular: C23H24N6O
• Molecular Mass: 400.47626
• Monoisotopic Mass: 400.20115942
• SMILES: c12c(nn(c1CCN(C2)Cc1[nH]c2c(c1)cccc2)C)C(=O)NCc1cnccc1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)Cc1cc2c([nH]1)cccc2)C)NCc1cccnc1
• InChI: InChI=1S/C23H24N6O/c1-28-21-8-10-29(14-18-11-17-6-2-3-7-20(17)26-18)15-19(21)22(27-28)23(30)25-13-16-5-4-9-24-12-16/h2-7,9,11-12,26H,8,10,13-15H2,1H3,(H,25,30)
• InChIKey: JOSRRMUEWPZIKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.015921
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.30286923
• LogD (pH = 7.4): 1.6648542
• Log P: 1.7838944
• Molar Refractivity: 128.437 cm^3
• Polarizability: 45.15528 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: 1.66
• LOG S: -5.05
• Polar Surface Area: 78.84 Å^2
• Rotatable Bonds: 5