ChemSpider 2D Image | Methyl ({4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}methyl)carbamate | C20H19FN8O2

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

  • Molecular FormulaC20H19FN8O2
  • Average mass422.416 Da
  • Monoisotopic mass422.161499 Da
  • ChemSpider ID34983015

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}méthyl)carbamate 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]methyl]-, methyl ester [ACD/Index Name]
Methyl ({4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}methyl)carbamate [ACD/IUPAC Name]
Methyl-({4,6-diamino-2-[1-(2-fluorbenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl}methyl)carbamat [German] [ACD/IUPAC Name]
625115-55-1 [RN]
MFCD27978557
Riociguat [INN] [USAN] [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 639.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.4±31.5 °C
Index of Refraction: 1.731
Molar Refractivity: 109.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.86
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.53
ACD/KOC (pH 5.5): 140.70
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.88
ACD/KOC (pH 7.4): 165.99
Polar Surface Area: 147 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 63.1±7.0 dyne/cm
Molar Volume: 274.0±7.0 cm3

Click to predict properties on the Chemicalize site


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