ChemSpider 2D Image | 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one | C28H29F3N4O2

1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one

  • Molecular FormulaC28H29F3N4O2
  • Average mass510.551 Da
  • Monoisotopic mass510.224274 Da
  • ChemSpider ID22377509

More details:

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

1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
1-(4-Methoxyphenyl)-6-{4-[1-(1-pyrrolidinylmethyl)cyclopropyl]phenyl}-3-(trifluormethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-on [German] [ACD/IUPAC Name]
1-(4-Methoxyphenyl)-6-{4-[1-(1-pyrrolidinylmethyl)cyclopropyl]phenyl}-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one [ACD/IUPAC Name]
1-(4-Méthoxyphényl)-6-{4-[1-(1-pyrrolidinylméthyl)cyclopropyl]phényl}-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, 1,4,5,6-tetrahydro-1-(4-methoxyphenyl)-6-[4-[1-(1-pyrrolidinylmethyl)cyclopropyl]phenyl]-3-(trifluoromethyl)- [ACD/Index Name]
1-(4-methoxyphenyl)-6-{4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl}-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one
1-(4-methoxyphenyl)-6-{4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl}-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CHEMBL461091
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL461091/
LG0

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

Density: 1.4±0.1 g/cm3
Boiling Point: 629.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.7±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 134.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.39
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 6.04
Polar Surface Area: 51 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 371.1±7.0 cm3

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