ChemSpider 2D Image | 3-Methyl-1-[3-(3-oxo-3H-1,2,4-triazol-5-yl)phenyl]-6-[2'-(1-pyrrolidinylmethyl)-4-biphenylyl]-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one | C32H29N7O2

3-Methyl-1-[3-(3-oxo-3H-1,2,4-triazol-5-yl)phenyl]-6-[2'-(1-pyrrolidinylmethyl)-4-biphenylyl]-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one

  • Molecular FormulaC32H29N7O2
  • Average mass543.618 Da
  • Monoisotopic mass543.238281 Da
  • ChemSpider ID24749878

More details:

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

3-Methyl-1-[3-(3-oxo-3H-1,2,4-triazol-5-yl)phenyl]-6-[2'-(1-pyrrolidinylmethyl)-4-biphenylyl]-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-on [German] [ACD/IUPAC Name]
3-Methyl-1-[3-(3-oxo-3H-1,2,4-triazol-5-yl)phenyl]-6-[2'-(1-pyrrolidinylmethyl)-4-biphenylyl]-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one [ACD/IUPAC Name]
3-Méthyl-1-[3-(3-oxo-3H-1,2,4-triazol-5-yl)phényl]-6-[2'-(1-pyrrolidinylméthyl)-4-biphénylyl]-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, 1,4,5,6-tetrahydro-3-methyl-1-[3-(3-oxo-3H-1,2,4-triazol-5-yl)phenyl]-6-[2'-(1-pyrrolidinylmethyl)[1,1'-biphenyl]-4-yl]- [ACD/Index Name]
3-methyl-1-(3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)-6-(2'-(pyrrolidin-1-ylmethyl)biphenyl-4-yl)-3a,4,5,6-tetrahydro-1H-pyrazolo[3,4-c]pyridin-7(7aH)-one
LGM

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

Density: 1.4±0.1 g/cm3
Boiling Point: 759.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 413.4±35.7 °C
Index of Refraction: 1.738
Molar Refractivity: 157.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 1.68
ACD/KOC (pH 7.4): 12.78
Polar Surface Area: 96 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 392.1±7.0 cm3

Click to predict properties on the Chemicalize site


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