ChemSpider 2D Image | 2-(4-{[3-(3,3-Difluoro-1-pyrrolidinyl)-1-azetidinyl]carbonyl}-5-methyl-1H-pyrazol-1-yl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | C19H21F2N7O2

2-(4-{[3-(3,3-Difluoro-1-pyrrolidinyl)-1-azetidinyl]carbonyl}-5-methyl-1H-pyrazol-1-yl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

  • Molecular FormulaC19H21F2N7O2
  • Average mass417.413 Da
  • Monoisotopic mass417.172485 Da
  • ChemSpider ID128721841

More details:

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

2-(4-{[3-(3,3-Difluor-1-pyrrolidinyl)-1-azetidinyl]carbonyl}-5-methyl-1H-pyrazol-1-yl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-(4-{[3-(3,3-Difluoro-1-pyrrolidinyl)-1-azetidinyl]carbonyl}-5-methyl-1H-pyrazol-1-yl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
2-(4-{[3-(3,3-Difluoro-1-pyrrolidinyl)-1-azétidinyl]carbonyl}-5-méthyl-1H-pyrazol-1-yl)-7-méthyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-[4-[[3-(3,3-difluoro-1-pyrrolidinyl)-1-azetidinyl]carbonyl]-5-methyl-1H-pyrazol-1-yl]-3,7-dihydro-7-methyl- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4530092/

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.743
Molar Refractivity: 104.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.92
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.13
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.22
Polar Surface Area: 88 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 257.0±7.0 cm3

Click to predict properties on the Chemicalize site


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