ChemSpider 2D Image | PHA-680632 | C28H35N7O2

PHA-680632

  • Molecular FormulaC28H35N7O2
  • Average mass501.623 Da
  • Monoisotopic mass501.285217 Da
  • ChemSpider ID9424117

More details:

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

398493-79-3 [RN]
N-(2,6-diethylphenyl)-3-(4-(4-methylpiperazin-1-yl)benzoylamino)-4,6-dihydro-1H-pyrrolo(3,4-c)pyrazole-5-carboxamide
N-(2,6-diethylphenyl)-3-[4-(4-methylpiperazin-1-yl)benzamido]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxamide
N-(2,6-DIETHYLPHENYL)-3-[4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDO]-1H,4H,6H-PYRROLO[3,4-C]PYRAZOLE-5-CARBOXAMIDE
N-(2,6-Diethylphenyl)-3-{[4-(4-methyl-1-piperazinyl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazol-5(1H)-carboxamid [German] [ACD/IUPAC Name]
N-(2,6-Diethylphenyl)-3-{[4-(4-methyl-1-piperazinyl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxamide [ACD/IUPAC Name]
N-(2,6-Diéthylphényl)-3-{[4-(4-méthyl-1-pipérazinyl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxamide [French] [ACD/IUPAC Name]
N-(2,6-diethylphenyl)-3-{[4-(4-methylpiperazin-1-yl)benzoyl]amino}-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxamide
PHA-680632
Pyrrolo[3,4-c]pyrazole-5(1H)-carboxamide, N-(2,6-diethylphenyl)-4,6-dihydro-3-[[4-(4-methyl-1-piperazinyl)benzoyl]amino]- [ACD/Index Name]
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Aurora Kinase MedChem Express HY-10178
      Cell Cycle/DNA Damage MedChem Express HY-10178
      Cell Cycle/DNA Damage; MedChem Express HY-10178
      PHA-680632 is potent inhibitor of Aurora A, Aurora B and Aurora C with IC50 of 27 nM, 135 nM and 120 nM, respectively. MedChem Express HY-10178

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

Density: 1.3±0.1 g/cm3
Boiling Point: 709.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.6±32.9 °C
Index of Refraction: 1.676
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 1.45
ACD/KOC (pH 5.5): 11.70
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 65.50
ACD/KOC (pH 7.4): 527.74
Polar Surface Area: 97 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 387.6±3.0 cm3

Click to predict properties on the Chemicalize site


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