ChemSpider 2D Image | 3-{6-[(4R)-6-Azaspiro[2.5]oct-4-yloxy]-2-pyrazinyl}-5-(2,6-difluorophenyl)-1H-indazole | C24H21F2N5O

3-{6-[(4R)-6-Azaspiro[2.5]oct-4-yloxy]-2-pyrazinyl}-5-(2,6-difluorophenyl)-1H-indazole

  • Molecular FormulaC24H21F2N5O
  • Average mass433.453 Da
  • Monoisotopic mass433.171417 Da
  • ChemSpider ID35035284
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-{6-[(4R)-6-Azaspiro[2.5]oct-4-yloxy]-2-pyrazinyl}-5-(2,6-difluorophenyl)-1H-indazole [ACD/IUPAC Name]
3-{6-[(4R)-6-Azaspiro[2.5]oct-4-yloxy]-2-pyrazinyl}-5-(2,6-difluorophényl)-1H-indazole [French] [ACD/IUPAC Name]
3-{6-[(4R)-6-Azaspiro[2.5]oct-4-yloxy]-2-pyrazinyl}-5-(2,6-difluorphenyl)-1H-indazol [German] [ACD/IUPAC Name]
3-{6-[(4r)-6-Azaspiro[2.5]oct-4-Yloxy]pyrazin-2-Yl}-5-(2,6-Difluorophenyl)-1h-Indazole
6-Azaspiro[2.5]octane, 4-[[6-[5-(2,6-difluorophenyl)-1H-indazol-3-yl]-2-pyrazinyl]oxy]-, (4R)- [ACD/Index Name]
3U1

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 623.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.6±31.5 °C
Index of Refraction: 1.691
Molar Refractivity: 115.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.49
ACD/KOC (pH 5.5): 6.30
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 14.06
ACD/KOC (pH 7.4): 59.31
Polar Surface Area: 76 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 73.4±5.0 dyne/cm
Molar Volume: 300.5±5.0 cm3

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