ChemSpider 2D Image | [3-(4-Benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl][5-(4-morpholinylmethyl)-1,2-oxazol-3-yl]methanone | C25H28N8O3

[3-(4-Benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl][5-(4-morpholinylmethyl)-1,2-oxazol-3-yl]methanone

  • Molecular FormulaC25H28N8O3
  • Average mass488.542 Da
  • Monoisotopic mass488.228424 Da
  • ChemSpider ID65238463

More details:

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

[3-(4-Benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl][5-(4-morpholinylmethyl)-1,2-oxazol-3-yl]methanon [German] [ACD/IUPAC Name]
[3-(4-Benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl][5-(4-morpholinylmethyl)-1,2-oxazol-3-yl]methanone [ACD/IUPAC Name]
[3-(4-Benzyl-4H-1,2,4-triazol-3-yl)-1-méthyl-1,4,6,7-tétrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl][5-(4-morpholinylméthyl)-1,2-oxazol-3-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [5-(4-morpholinylmethyl)-3-isoxazolyl][1,4,6,7-tetrahydro-1-methyl-3-[4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]-5H-pyrazolo[4,3-c]pyridin-5-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 785.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 428.5±35.7 °C
Index of Refraction: 1.732
Molar Refractivity: 134.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.97
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.88
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.09
Polar Surface Area: 107 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 62.9±7.0 dyne/cm
Molar Volume: 334.8±7.0 cm3

Click to predict properties on the Chemicalize site


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