ChemSpider 2D Image | praliciguat | C21H14F8N6O2

praliciguat

  • Molecular FormulaC21H14F8N6O2
  • Average mass534.362 Da
  • Monoisotopic mass534.105042 Da
  • ChemSpider ID59718646

More details:

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

1,1,1,3,3,3-Hexafluor-2-[({5-fluor-2-[1-(2-fluorbenzyl)-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]-4-pyrimidinyl}amino)methyl]-2-propanol [German] [ACD/IUPAC Name]
1,1,1,3,3,3-Hexafluoro-2-[({5-fluoro-2-[1-(2-fluorobenzyl)-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]-4-pyrimidinyl}amino)methyl]-2-propanol [ACD/IUPAC Name]
1,1,1,3,3,3-Hexafluoro-2-[({5-fluoro-2-[1-(2-fluorobenzyl)-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]-4-pyrimidinyl}amino)méthyl]-2-propanol [French] [ACD/IUPAC Name]
1,1,1,3,3,3-Hexafluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(3-isoxazolyl)-1H-pyrazol-3-yl]-4-pyrimidinyl]amino]methyl]-2-propanol
1628730-49-3 [RN]
2-Propanol, 1,1,1,3,3,3-hexafluoro-2-[[[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(3-isoxazolyl)-1H-pyrazol-3-yl]-4-pyrimidinyl]amino]methyl]- [ACD/Index Name]
praliciguat [INN]
praliciguat [Spanish] [INN]
praliciguat [French] [INN]
praliciguatum [Latin] [INN]
More...

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

10460 [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of pyrazoles that is 5-fluoro-2-(1H-pyrazol-3-yl)pyrimidine which is substituted by a 2-fluorobenzyl group at position 1, 1,2-oxazol-3-yl group at position 5, and by a [3,3,3-tri fluoro-2-hydroxy-2-(trifluoromethyl)propyl]nitrilo group at position 4. It is a soluble guanylate cyclase stimulator under clinical development for the treatment of heart failure with preserved ejecti on fraction. ChEBI CHEBI:142431

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

Density: 1.6±0.1 g/cm3
Boiling Point: 588.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 309.7±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 543.36
ACD/KOC (pH 5.5): 3157.34
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 527.20
ACD/KOC (pH 7.4): 3063.47
Polar Surface Area: 102 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 333.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement