N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(quinoxalin-5-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 315917
• Molecular Formular: C24H32N6O2
• Molecular Mass: 436.54988
• Monoisotopic Mass: 436.25867429
• SMILES: c12c(nn(c1CCN(C2)Cc1c2nccnc2ccc1)CCC(C)C)C(=O)NCCOC
• Canonical SMILES: COCCNC(=O)c1nn(c2c1CN(CC2)Cc1cccc2c1nccn2)CCC(C)C
• InChI: InChI=1S/C24H32N6O2/c1-17(2)7-13-30-21-8-12-29(15-18-5-4-6-20-22(18)26-10-9-25-20)16-19(21)23(28-30)24(31)27-11-14-32-3/h4-6,9-10,17H,7-8,11-16H2,1-3H3,(H,27,31)
• InChIKey: NEQMZAQGUNJNMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(quinoxalin-5-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(quinoxalin-5-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(5-quinoxalinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.083222
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.4465438
• LogD (pH = 7.4): 1.9358345
• Log P: 2.1481059
• Molar Refractivity: 135.8754 cm^3
• Polarizability: 48.720776 Å^3
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 2.39
• LOG S: -4.86
• Polar Surface Area: 85.17 Å^2
• Rotatable Bonds: 7