ChemSpider 2D Image | 7-{[(1R,2S)-2-Aminocyclohexyl]amino}-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]pyrido[3,4-d]pyridazin-4(3H)-one | C22H23F2N7O

7-{[(1R,2S)-2-Aminocyclohexyl]amino}-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]pyrido[3,4-d]pyridazin-4(3H)-one

  • Molecular FormulaC22H23F2N7O
  • Average mass439.461 Da
  • Monoisotopic mass439.193207 Da
  • ChemSpider ID76820456

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

7-{[(1R,2S)-2-Aminocyclohexyl]amino}-8-fluor-5-[(5-fluor-3-methyl-1H-indol-7-yl)amino]pyrido[3,4-d]pyridazin-4(3H)-on [German] [ACD/IUPAC Name]
7-{[(1R,2S)-2-Aminocyclohexyl]amino}-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]pyrido[3,4-d]pyridazin-4(3H)-one [ACD/IUPAC Name]
7-{[(1R,2S)-2-Aminocyclohexyl]amino}-8-fluoro-5-[(5-fluoro-3-méthyl-1H-indol-7-yl)amino]pyrido[3,4-d]pyridazin-4(3H)-one [French] [ACD/IUPAC Name]
Pyrido[3,4-d]pyridazin-4(3H)-one, 7-[[(1R,2S)-2-aminocyclohexyl]amino]-8-fluoro-5-[(5-fluoro-3-methyl-1H-indol-7-yl)amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.763
Molar Refractivity: 111.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.14
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.90
Polar Surface Area: 120 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 271.1±7.0 cm3

Click to predict properties on the Chemicalize site


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