ChemSpider 2D Image | 1-{3-[4-(Cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-propanone | C25H28N8O3

1-{3-[4-(Cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-propanone

  • Molecular FormulaC25H28N8O3
  • Average mass488.542 Da
  • Monoisotopic mass488.228424 Da
  • ChemSpider ID65238455

More details:

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

1-{3-[4-(Cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-propanon [German] [ACD/IUPAC Name]
1-{3-[4-(Cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-propanone [ACD/IUPAC Name]
1-{3-[4-(Cyclopropylméthyl)-4H-1,2,4-triazol-3-yl]-1-méthyl-1,4,6,7-tétrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-3-[3-(2-méthoxyphényl)-1,2,4-oxadiazol-5-yl]-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[3-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-1-methyl-5H-pyrazolo[4,3-c]pyridin-5-yl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-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: 799.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 437.0±35.7 °C
Index of Refraction: 1.745
Molar Refractivity: 132.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.64
ACD/KOC (pH 5.5): 249.08
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.64
ACD/KOC (pH 7.4): 249.10
Polar Surface Area: 117 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 327.9±7.0 cm3

Click to predict properties on the Chemicalize site


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