ChemSpider 2D Image | 2-[[(3r)-3-Acetamido-2,3-Dihydro-1h-Inden-5-Yl]oxy]-N-[(1s)-1-Cyclopropylethyl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide | C23H25N5O3

2-[[(3r)-3-Acetamido-2,3-Dihydro-1h-Inden-5-Yl]oxy]-N-[(1s)-1-Cyclopropylethyl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide

  • Molecular FormulaC23H25N5O3
  • Average mass419.476 Da
  • Monoisotopic mass419.195740 Da
  • ChemSpider ID30817187
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-[[(3r)-3-Acetamido-2,3-Dihydro-1h-Inden-5-Yl]oxy]-N-[(1s)-1-Cyclopropylethyl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
2-{[(3R)-3-Acetamido-2,3-dihydro-1H-inden-5-yl]oxy}-N-[(1S)-1-cyclopropylethyl]-4H-pyrrolo[2,3-b]pyrazin-7-carboxamid [German] [ACD/IUPAC Name]
2-{[(3R)-3-Acetamido-2,3-dihydro-1H-inden-5-yl]oxy}-N-[(1S)-1-cyclopropylethyl]-4H-pyrrolo[2,3-b]pyrazine-7-carboxamide [ACD/IUPAC Name]
2-{[(3R)-3-Acétamido-2,3-dihydro-1H-indén-5-yl]oxy}-N-[(1S)-1-cyclopropyléthyl]-4H-pyrrolo[2,3-b]pyrazine-7-carboxamide [French] [ACD/IUPAC Name]
5H-Pyrrolo[2,3-b]pyrazine-7-carboxamide, 2-[[(3R)-3-(acetylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-[(1S)-1-cyclopropylethyl]- [ACD/Index Name]
10.1016/j.bmcl.2013.03.015
1NX

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 114.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 142.63
ACD/KOC (pH 5.5): 1212.22
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 141.32
ACD/KOC (pH 7.4): 1201.03
Polar Surface Area: 109 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 306.1±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement