ChemSpider 2D Image | Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}(~2~H_3_)methylcarbamate | C20H16D3FN8O2

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

  • Molecular FormulaC20H16D3FN8O2
  • Average mass425.434 Da
  • Monoisotopic mass425.180328 Da
  • ChemSpider ID48062166

  • Non-standard isotope - Non-standard isotope

More details:

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

{4,6-Diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}(2H3)méthylcarbamate de 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]-N-methyl-d3-, methyl ester [ACD/Index Name]
Methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}(2H3)methylcarbamate [ACD/IUPAC Name]
Methyl-{4,6-diamino-2-[1-(2-fluorbenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}(2H3)methylcarbamat [German] [ACD/IUPAC Name]
1304478-72-5 [RN]
methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-N-(trideuteriomethyl)carbamate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 567.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 296.8±30.1 °C
Index of Refraction: 1.720
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.31
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.64
ACD/KOC (pH 5.5): 384.18
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.65
ACD/KOC (pH 7.4): 384.27
Polar Surface Area: 138 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 60.6±7.0 dyne/cm
Molar Volume: 279.2±7.0 cm3

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