Found 19 results

Search term: MF = 'C_{29}H_{29}N_{9}O_{2}'
ChemSpider 2D Image | 4-(3-{4-Amino-5-[1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-1-(cyanoacetyl)-4-piperidinecarbonitrile | C29H29N9O2

4-(3-{4-Amino-5-[1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-1-(cyanoacetyl)-4-piperidinecarbonitrile

  • Molecular FormulaC29H29N9O2
  • Average mass535.600 Da
  • Monoisotopic mass535.244446 Da
  • ChemSpider ID128990816

More details:

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

1-Piperidinepropanenitrile, 4-[3-[4-amino-5-[1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-4-cyano-β-oxo- [ACD/Index Name]
4-(3-{4-Amino-5-[1-(tétrahydro-2H-pyran-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phényl)-1-(2-cyanoacétyl)-4-pipéridinecarbonitrile [French] [ACD/IUPAC Name]
4-(3-{4-Amino-5-[1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-1-(cyanacetyl)-4-piperidincarbonitril [German] [ACD/IUPAC Name]
4-(3-{4-Amino-5-[1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-1-(cyanoacetyl)-4-piperidinecarbonitrile [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.739
Molar Refractivity: 150.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.26
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.87
ACD/KOC (pH 5.5): 48.81
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.70
Polar Surface Area: 151 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 66.9±7.0 dyne/cm
Molar Volume: 373.5±7.0 cm3

Click to predict properties on the Chemicalize site


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