ChemSpider 2D Image | 5-Acetyl-N-{4-[4-amino-7-(1-isobutyryl-4-piperidinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl}-6-methyl-2-oxo-1-phenyl-1,2-dihydro-3-pyridinecarboxamide | C36H37N7O4

5-Acetyl-N-{4-[4-amino-7-(1-isobutyryl-4-piperidinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl}-6-methyl-2-oxo-1-phenyl-1,2-dihydro-3-pyridinecarboxamide

  • Molecular FormulaC36H37N7O4
  • Average mass631.724 Da
  • Monoisotopic mass631.290710 Da
  • ChemSpider ID129059746

More details:

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

3-Pyridinecarboxamide, 5-acetyl-N-[4-[4-amino-7-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1,2-dihydro-6-methyl-2-oxo-1-phenyl- [ACD/Index Name]
5-Acetyl-N-{4-[4-amino-7-(1-isobutyryl-4-piperidinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl}-6-methyl-2-oxo-1-phenyl-1,2-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
5-Acetyl-N-{4-[4-amino-7-(1-isobutyryl-4-piperidinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl}-6-methyl-2-oxo-1-phenyl-1,2-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
5-Acétyl-N-{4-[4-amino-7-(1-isobutyryl-4-pipéridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phényl}-6-méthyl-2-oxo-1-phényl-1,2-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]

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: 1.688
Molar Refractivity: 178.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 42.04
ACD/KOC (pH 5.5): 495.36
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.16
ACD/KOC (pH 7.4): 532.05
Polar Surface Area: 143 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 468.6±7.0 cm3

Click to predict properties on the Chemicalize site


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