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Tyk2-IN-5

CAT: 0607-BA4909-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-BA4909-5.1Size:1 mL (10 mM in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1797432-62-2
Form
A solid
Molecular Formula
C21H19FN8O2
Molecular Weight
434.43
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Tyk2-IN-5
CAS Number1797432-62-2
PubChem CID91809175
IUPAC NameN-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
Molecular FormulaC21H19FN8O2
Molecular Weight434.4
XLogP1.9
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity807
SMILES
CNC1=CC(=NN2C1=NC=C2C(=O)N[C@@H]3C[C@@H]3F)NC4=CC=CN(C4=O)C5=CC=CC=N5
InChI
InChI=1S/C21H19FN8O2/c1-23-15-10-17(26-13-5-4-8-29(21(13)32)18-6-2-3-7-24-18)28-30-16(11-25-19(15)30)20(31)27-14-9-12(14)22/h2-8,10-12,14,23H,9H2,1H3,(H,26,28)(H,27,31)/t12-,14+/m0/s1
InChIKey
YITUGUNLCGLOII-GXTWGEPZSA-N
Chemical Structure
2D Structure
2D structure of Tyk2-IN-5
CAS: 1797432-62-2
CID: 91809175
Formula: C21H19FN8O2
MW: 434.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.4
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass434.16150004
Monoisotopic Mass434.16150004
Topological Polar Surface Area117 Ų
Heavy Atom Count32
Formal Charge0
Complexity807
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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