ChemSpider 2D Image | (~2~H_3_)Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate | C19H14D3FN8O2

(2H3)Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate

  • Molecular FormulaC19H14D3FN8O2
  • Average mass411.408 Da
  • Monoisotopic mass411.164673 Da
  • ChemSpider ID107433719

  • Non-standard isotope - Non-standard isotope

More details:

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

(2H3)Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate [ACD/IUPAC Name]
(2H3)Methyl-{4,6-diamino-2-[1-(2-fluorbenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamat [German] [ACD/IUPAC Name]
{4,6-Diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}carbamate de (2H3)méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-, methyl-d3 ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 533.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.3±30.1 °C
Index of Refraction: 1.748
Molar Refractivity: 104.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -0.10
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.91
ACD/KOC (pH 5.5): 285.37
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.92
ACD/KOC (pH 7.4): 285.55
Polar Surface Area: 147 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 65.4±7.0 dyne/cm
Molar Volume: 257.9±7.0 cm3

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