ChemSpider 2D Image | Ponatinib | C29H27F3N6O

Ponatinib

  • Molecular FormulaC29H27F3N6O
  • Average mass532.560 Da
  • Monoisotopic mass532.219849 Da
  • ChemSpider ID24747381

More details:

Featured data source
The Merck Index Online

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

3-(2-(Imidazo[1,2-b]pyridazin-3-yl)ethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
3-(2-{imidazo[1,2-b]pyridazin-3-yl}ethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
3-(Imidazo[1,2-b]pyridazin-3-ylethinyl)-4-methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}benzamid [German] [ACD/IUPAC Name]
3-(Imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}benzamide [ACD/IUPAC Name]
3-(Imidazo[1,2-b]pyridazin-3-yléthynyl)-4-méthyl-N-{4-[(4-méthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}benzamide [French] [ACD/IUPAC Name]
943319-70-8 [RN]
Benzamide, 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]- [ACD/Index Name]
Iclusig [Trade name]
Ponatinib [INN] [USAN] [Wiki]
ponatinibum [Latin] [INN]
More...

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

AP 24534 [DBID]
AP24534 [DBID]
UNII:4340891KFS [DBID]
4340891KFS [DBID]
CCRIS 4693 [DBID]
UNII-4340891KFS [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.622
    Molar Refractivity: 145.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 3.79
    ACD/LogD (pH 5.5): 1.75
    ACD/BCF (pH 5.5): 4.01
    ACD/KOC (pH 5.5): 24.53
    ACD/LogD (pH 7.4): 3.40
    ACD/BCF (pH 7.4): 179.34
    ACD/KOC (pH 7.4): 1095.86
    Polar Surface Area: 66 Å2
    Polarizability: 57.5±0.5 10-24cm3
    Surface Tension: 45.0±7.0 dyne/cm
    Molar Volume: 412.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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