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}-4-(3-oxo-3,4-dihydro-1(2H)-quinoxalinyl)-1,4-butanedione | 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}-4-(3-oxo-3,4-dihydro-1(2H)-quinoxalinyl)-1,4-butanedione

  • Molecular FormulaC25H28N8O3
  • Average mass488.542 Da
  • Monoisotopic mass488.228424 Da
  • ChemSpider ID44218613

More details:

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

1,4-Butanedione, 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]-4-(3,4-dihydro-3-oxo-1(2H)-quinoxalinyl)- [ACD/Index 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}-4-(3-oxo-3,4-dihydro-1(2H)-chinoxalinyl)-1,4-butandion [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}-4-(3-oxo-3,4-dihydro-1(2H)-quinoxalinyl)-1,4-butanedione [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}-4-(3-oxo-3,4-dihydro-1(2H)-quinoxalinyl)-1,4-butanedione [French] [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}-4-[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]-1,4-butanedione

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.781
Molar Refractivity: 132.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.15
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.04
ACD/KOC (pH 5.5): 77.05
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.04
ACD/KOC (pH 7.4): 77.06
Polar Surface Area: 118 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 70.2±7.0 dyne/cm
Molar Volume: 316.4±7.0 cm3

Click to predict properties on the Chemicalize site


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