ChemSpider 2D Image | 1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one | C32H28F3N7O2

1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one

  • Molecular FormulaC32H28F3N7O2
  • Average mass599.606 Da
  • Monoisotopic mass599.225647 Da
  • ChemSpider ID13339620

More details:

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

1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
1-[3-(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl]-6-[2'-(1-pyrrolidinylmethyl)-4-biphenylyl]-3-(trifluormethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-on [German] [ACD/IUPAC Name]
1-[3-(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl]-6-[2'-(1-pyrrolidinylmethyl)-4-biphenylyl]-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one [ACD/IUPAC Name]
1-[3-(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)phényl]-6-[2'-(1-pyrrolidinylméthyl)-4-biphénylyl]-3-(trifluorométhyl)-1,4,5,6-tétrahydro-7H-pyrazolo[3,4-c]pyridin-7-one [French] [ACD/IUPAC Name]
7H-Pyrazolo[3,4-c]pyridin-7-one, 1-[3-(4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)phenyl]-1,4,5,6-tetrahydro-6-[2'-(1-pyrrolidinylmethyl)[1,1'-biphenyl]-4-yl]-3-(trifluoromethyl)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 158.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.20
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.46
Polar Surface Area: 95 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 406.9±7.0 cm3

Click to predict properties on the Chemicalize site


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