ChemSpider 2D Image | 1-(3-{5-[4-(Aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea | C33H27N5O2

1-(3-{5-[4-(Aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea

  • Molecular FormulaC33H27N5O2
  • Average mass525.600 Da
  • Monoisotopic mass525.216492 Da
  • ChemSpider ID24629906

More details:

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

1-(3-{5-[4-(Aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)harnstoff [German] [ACD/IUPAC Name]
1-(3-{5-[4-(Aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea [ACD/IUPAC Name]
1-(3-{5-[4-(Aminométhyl)phényl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phényl)-3-(2-phénoxyphényl)urée [French] [ACD/IUPAC Name]
Urea, N-[3-[5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-N'-(2-phenoxyphenyl)- [ACD/Index Name]
1-(3-(5-(4-(aminomethyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl)-3-(2-phenoxyphenyl)urea

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

351 [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of phenylureas obtained by formal condensation of the carboxy group of (3-{5-[4-(aminomethyl)phenyl]pyrrolo[2,3-<ital>b</ital>]pyridin-3-yl}phenyl)carbamic acid with the amino gr oup of 2-phenoxyaniline. An inhibitor of tyrosine kinase. ChEBI CHEBI:90541
      A member of the class of phenylureas obtained by formal condensation of the carboxy group of (3-{5-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-3-yl}phenyl)carbamic acid with the amino group of 2-phen oxyaniline. An inhibitor of tyrosine kinase. ChEBI CHEBI:90541

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: 1.737
Molar Refractivity: 159.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 11.97
ACD/KOC (pH 5.5): 29.76
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 295.86
ACD/KOC (pH 7.4): 735.34
Polar Surface Area: 105 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 396.7±3.0 cm3

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