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GSK3494245

CAT: 0607-BA2139-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2139-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2080410-41-7
Form
A solid
Molecular Formula
C21H23FN6O2
Molecular Weight
410.44
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Gsk-3494245
CAS Number2080410-41-7
PubChem CID126571915
IUPAC NameN-[4-fluoro-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide
Molecular FormulaC21H23FN6O2
Molecular Weight410.4
XLogP2.6
Topological Polar Surface Area75
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity600
SMILES
C1CCN(C1)C(=O)NC2=CC(=C(C=C2)F)C3=NC4=NC=C(N4C=C3)N5CCOCC5
InChI
InChI=1S/C21H23FN6O2/c22-17-4-3-15(24-21(29)27-6-1-2-7-27)13-16(17)18-5-8-28-19(14-23-20(28)25-18)26-9-11-30-12-10-26/h3-5,8,13-14H,1-2,6-7,9-12H2,(H,24,29)
InChIKey
SAJUCKZZYFFICP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gsk-3494245
CAS: 2080410-41-7
CID: 126571915
Formula: C21H23FN6O2
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass410.18665216
Monoisotopic Mass410.18665216
Topological Polar Surface Area75 Ų
Heavy Atom Count30
Formal Charge0
Complexity600
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-127102-01GSK3494245

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