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-methyl-1H-indazol-1-yl)-1,4-butanedione | C25H28N8O2

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-methyl-1H-indazol-1-yl)-1,4-butanedione

  • Molecular FormulaC25H28N8O2
  • Average mass472.542 Da
  • Monoisotopic mass472.233521 Da
  • ChemSpider ID65231608

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-methyl-1H-indazol-1-yl)- [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-methyl-1H-indazol-1-yl)-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-methyl-1H-indazol-1-yl)-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-méthyl-1H-indazol-1-yl)-1,4-butanedione [French] [ACD/IUPAC 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: 793.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 433.9±35.7 °C
Index of Refraction: 1.767
Molar Refractivity: 131.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.56
ACD/KOC (pH 5.5): 313.50
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.56
ACD/KOC (pH 7.4): 313.53
Polar Surface Area: 104 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 64.7±7.0 dyne/cm
Molar Volume: 318.3±7.0 cm3

Click to predict properties on the Chemicalize site


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