ChemSpider 2D Image | Nemiralisib | C26H28N6O


  • Molecular FormulaC26H28N6O
  • Average mass440.540 Da
  • Monoisotopic mass440.232452 Da
  • ChemSpider ID28651123

More details:

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

1254036-71-9 [RN]
1H-Indazole, 6-(1H-indol-4-yl)-4-[5-[[4-(1-methylethyl)-1-piperazinyl]methyl]-2-oxazolyl]- [ACD/Index Name]
6-(1H-Indol-4-yl)-4-{5-[(4-isopropyl-1-piperazinyl)methyl]-1,3-oxazol-2-yl}-1H-indazol [German] [ACD/IUPAC Name]
6-(1H-Indol-4-yl)-4-{5-[(4-isopropyl-1-piperazinyl)methyl]-1,3-oxazol-2-yl}-1H-indazole [ACD/IUPAC Name]
6-(1H-Indol-4-yl)-4-{5-[(4-isopropyl-1-pipérazinyl)méthyl]-1,3-oxazol-2-yl}-1H-indazole [French] [ACD/IUPAC Name]
nemiralisib [Spanish] [INN]
Nemiralisib [INN] [USAN]
némiralisib [French] [INN]
nemiralisibum [Latin] [INN]

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

GSK2269557 [DBID]
GSK-2269557 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 706.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.9±35.7 °C
Index of Refraction: 1.686
Molar Refractivity: 130.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.25
ACD/KOC (pH 5.5): 9.27
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 62.32
ACD/KOC (pH 7.4): 462.44
Polar Surface Area: 77 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 343.7±3.0 cm3

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