ChemSpider 2D Image | 7-({4-[(3R)-3-Amino-1-pyrrolidinyl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one | C19H19ClN8OS

7-({4-[(3R)-3-Amino-1-pyrrolidinyl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one

  • Molecular FormulaC19H19ClN8OS
  • Average mass442.925 Da
  • Monoisotopic mass442.109100 Da
  • ChemSpider ID29416577

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

7-({4-[(3R)-3-Amino-1-pyrrolidinyl]-5-chlor-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-on [German] [ACD/IUPAC Name]
7-({4-[(3R)-3-Amino-1-pyrrolidinyl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one [ACD/IUPAC Name]
7-({4-[(3R)-3-Amino-1-pyrrolidinyl]-5-chloro-6-éthyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one [French] [ACD/IUPAC Name]
7-({4-[(3r)-3-Aminopyrrolidin-1-Yl]-5-Chloro-6-Ethyl-7h-Pyrrolo[2,3-D]pyrimidin-2-Yl}sulfanyl)pyrido[2,3-B]pyrazin-2(1h)-One
Pyrido[2,3-b]pyrazin-2(1H)-one, 7-[[4-[(3R)-3-amino-1-pyrrolidinyl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]thio]- [ACD/Index Name]
CJC

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.873
Molar Refractivity: 114.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.18
Polar Surface Area: 150 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 78.9±7.0 dyne/cm
Molar Volume: 251.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement