ChemSpider 2D Image | N-{4-[(4-[(5-Methyl-1H-pyrazol-3-yl)amino]-6-{[3-(1-piperidinyl)propanoyl]amino}pyrrolo[2,1-f][1,2,4]triazin-2-yl)sulfanyl]phenyl}cyclopropanecarboxamide | C28H33N9O2S

N-{4-[(4-[(5-Methyl-1H-pyrazol-3-yl)amino]-6-{[3-(1-piperidinyl)propanoyl]amino}pyrrolo[2,1-f][1,2,4]triazin-2-yl)sulfanyl]phenyl}cyclopropanecarboxamide

  • Molecular FormulaC28H33N9O2S
  • Average mass559.686 Da
  • Monoisotopic mass559.247803 Da
  • ChemSpider ID26618921

More details:

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

1-Piperidinepropanamide, N-[2-[[4-[(cyclopropylcarbonyl)amino]phenyl]thio]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-yl]- [ACD/Index Name]
N-{4-[(4-[(5-Methyl-1H-pyrazol-3-yl)amino]-6-{[3-(1-piperidinyl)propanoyl]amino}pyrrolo[2,1-f][1,2,4]triazin-2-yl)sulfanyl]phenyl}cyclopropancarboxamid [German] [ACD/IUPAC Name]
N-{4-[(4-[(5-Methyl-1H-pyrazol-3-yl)amino]-6-{[3-(1-piperidinyl)propanoyl]amino}pyrrolo[2,1-f][1,2,4]triazin-2-yl)sulfanyl]phenyl}cyclopropanecarboxamide [ACD/IUPAC Name]
N-{4-[(4-[(5-Méthyl-1H-pyrazol-3-yl)amino]-6-{[3-(1-pipéridinyl)propanoyl]amino}pyrrolo[2,1-f][1,2,4]triazin-2-yl)sulfanyl]phényl}cyclopropanecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.766
Molar Refractivity: 154.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.77
ACD/LogD (pH 5.5): -0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.05
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 3.30
ACD/KOC (pH 7.4): 33.13
Polar Surface Area: 158 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 374.2±7.0 cm3

Click to predict properties on the Chemicalize site


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