ChemSpider 2D Image | 7-({4-[(3R)-3-Amino-1-pyrrolidinyl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4H)-ol | C20H22ClN7OS

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

  • Molecular FormulaC20H22ClN7OS
  • Average mass443.953 Da
  • Monoisotopic mass443.129517 Da
  • ChemSpider ID35033839
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-Pyrrolidinamine, 1-[5-chloro-2-[(5,8-dihydro-5-hydroxy-1,5-naphthyridin-3-yl)thio]-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-, (3R)- [ACD/Index Name]
7-({4-[(3R)-3-Amino-1-pyrrolidinyl]-5-chlor-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4H)-ol [German] [ACD/IUPAC Name]
7-({4-[(3R)-3-Amino-1-pyrrolidinyl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphthyridin-1(4H)-ol [ACD/IUPAC Name]
7-({4-[(3R)-3-Amino-1-pyrrolidinyl]-5-chloro-6-éthyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)-1,5-naphtyridin-1(4H)-ol [French] [ACD/IUPAC Name]
7-({4-[(3r)-3-Aminopyrrolidin-1-Yl]-5-Chloro-6-Ethyl-7h-Pyrrolo[2,3-D]pyrimidin-2-Yl}sulfanyl)-1,5-Naphthyridin-1(4h)-Ol

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.792
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.46
Polar Surface Area: 132 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 103.8±5.0 dyne/cm
Molar Volume: 281.8±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement