ChemSpider 2D Image | Ethyl 4-(benzylamino)-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate | C17H18N4O2

Ethyl 4-(benzylamino)-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

  • Molecular FormulaC17H18N4O2
  • Average mass310.350 Da
  • Monoisotopic mass310.142975 Da
  • ChemSpider ID24765146

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

160034-51-5 [RN]
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 1-methyl-4-[(phenylmethyl)amino]-, ethyl ester [ACD/Index Name]
4-(Benzylamino)-1-méthyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(benzylamino)-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate [ACD/IUPAC Name]
Ethyl-4-(benzylamino)-1-methyl-1H-pyrazolo[3,4-b]pyridin-5-carboxylat [German] [ACD/IUPAC Name]
4-(Benzylamino)-5-(ethoxycarbonyl)-1-methyl-1H-pyrazolo[3,4-b]pyridine
CB-0061
Ethyl 4-(benzylamino)-1-methyl-1H-pyrazolo[3,4-b] pyridine-5-carboxylate
ethyl 4-(benzylamino)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
ethylbenzylaminomethylpyrazolobpyridinecarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 463.4±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.5±3.0 kJ/mol
    Flash Point: 234.1±27.3 °C
    Index of Refraction: 1.631
    Molar Refractivity: 88.2±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.24
    ACD/LogD (pH 5.5): 3.33
    ACD/BCF (pH 5.5): 176.72
    ACD/KOC (pH 5.5): 1215.62
    ACD/LogD (pH 7.4): 3.56
    ACD/BCF (pH 7.4): 297.58
    ACD/KOC (pH 7.4): 2047.06
    Polar Surface Area: 69 Å2
    Polarizability: 35.0±0.5 10-24cm3
    Surface Tension: 47.3±7.0 dyne/cm
    Molar Volume: 247.7±7.0 cm3

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