ChemSpider 2D Image | fenebrutinib | C37H44N8O4

fenebrutinib

  • Molecular FormulaC37H44N8O4
  • Average mass664.797 Da
  • Monoisotopic mass664.348572 Da
  • ChemSpider ID58145210

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

10-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo-1,6-dihydro-[3,4'-bipyridin]-2'-yl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.0²,?]dodeca-2(6),7-dien-9-one
1434048-34-6 [RN]
2-[3'-(Hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(3-oxetanyl)-1-piperazinyl]-2-pyridinyl}amino)-6-oxo-1,6-dihydro-3,4'-bipyridin-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1 ,2-a]pyrazin-1(6H)-on [German] [ACD/IUPAC Name]
2-[3'-(Hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(3-oxetanyl)-1-piperazinyl]-2-pyridinyl}amino)-6-oxo-1,6-dihydro-3,4'-bipyridin-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1 ,2-a]pyrazin-1(6H)-one [ACD/IUPAC Name]
2-[3'-(Hydroxyméthyl)-1-méthyl-5-({5-[(2S)-2-méthyl-4-(3-oxétanyl)-1-pipérazinyl]-2-pyridinyl}amino)-6-oxo-1,6-dihydro-3,4'-bipyridin-2'-yl]-7,7-diméthyl-3,4,7,8-tétrahydro-2H-cyclopenta[4,5]pyrrolo[1 ,2-a]pyrazin-1(6H)-one [French] [ACD/IUPAC Name]
2H-Cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one, 2-[1,6-dihydro-3'-(hydroxymethyl)-1-methyl-5-[[5-[(2S)-2-methyl-4-(3-oxetanyl)-1-piperazinyl]-2-pyridinyl]amino]-6-oxo[3,4'-bipyridin]-2'-yl]-3,4,7,8 -tetrahydro-7,7-dimethyl- [ACD/Index Name]
E9L2885WUL
fenebrutinib [Spanish] [INN]
fenebrutinib [INN]
fénébrutinib [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10603 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 936.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.7±3.0 kJ/mol
Flash Point: 520.0±34.3 °C
Index of Refraction: 1.725
Molar Refractivity: 185.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.31
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 15.50
ACD/KOC (pH 7.4): 235.85
Polar Surface Area: 119 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 466.9±7.0 cm3

Click to predict properties on the Chemicalize site


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