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Search term: 34980887 (Found by CSID)
ChemSpider 2D Image | LB42908 | C32H33N5O3

LB42908

  • Molecular FormulaC32H33N5O3
  • Average mass535.636 Da
  • Monoisotopic mass535.258362 Da
  • ChemSpider ID34980887

More details:

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

[1-{[1-(3a,7a-Dihydro-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl}-4-(1-naphthyl)-1H-pyrrol-3-yl](4-methyl-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
[1-{[1-(3a,7a-Dihydro-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl}-4-(1-naphthyl)-1H-pyrrol-3-yl](4-methyl-1-piperazinyl)methanone [ACD/IUPAC Name]
[1-{[1-(3a,7a-Dihydro-1,3-benzodioxol-5-ylméthyl)-1H-imidazol-5-yl]méthyl}-4-(1-naphtyl)-1H-pyrrol-3-yl](4-méthyl-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
LB42908
Methanone, [1-[[1-[(3a,7a-dihydro-1,3-benzodioxol-5-yl)methyl]-1H-imidazol-5-yl]methyl]-4-(1-naphthalenyl)-1H-pyrrol-3-yl](4-methyl-1-piperazinyl)- [ACD/Index Name]
(1-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-imidazol-5-yl)methyl)-4-(naphthalen-1-yl)-1H-pyrrol-3-yl)(4-methylpiperazin-1-yl)methanone
[1-[[3-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone
[1-{[1-(1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]-methyl}-4-(1-naphtyl)-1H-pyrrol-3-yl](4-methyl-1-piperazynyl)methanone
[1-{[1-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl}-4-(naphthalen-1-yl)-1H-pyrrol-3-yl](4-methylpiperazin-1-yl)methanone
1-(1-{[1-(3a,7a-dihydro-2H-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl}-4-(naphthalen-1-yl)-1H-pyrrole-3-carbonyl)-4-methylpiperazine
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  • Miscellaneous

    • Chemical Class:

      A member of the class of pyrrolecarboxamides that is 1H-pyrrole substituted by [1-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl, (4-methylpiperazin-1-yl)carbonyl, and naphthalen-1 -yl groups at positions 1, 3 and 4, respectively. It is a potent inhibitor of Ras farnesyltransferase (IC50= 0.9nM against H-Ras and 2.4nM against K-Ras) with potential anticancer activity. ChEBI CHEBI:167660

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

Density: 1.3±0.1 g/cm3
Boiling Point: 770.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 419.7±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 154.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.93
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 19.99
ACD/KOC (pH 7.4): 277.93
Polar Surface Area: 65 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 404.6±7.0 cm3

Click to predict properties on the Chemicalize site


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