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SYK-IN-II

CAT: 0931-T70931-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70931-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1345458-66-3
Target
Others
Related Pathways
Others
Bioactivity
SYK-IN-II is an inhibitor of the spleen tyrosine kinase (STK) .
Smiles
N(C[C@]1(F)CCCNC1)C=2C3=C(C=C(N2)C4=CN(C(C)(C)C)N=C4)N=CC=C3
Molecular Formula
C21H27FN6
Molecular Weight
382.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-(1-tert-butyl-1H-pyrazol-4-yl)-N-{[(3S)-3-fluoropiperidin-3-yl]methyl}-1,6-naphthyridin-5-amine
CAS Number1345458-66-3
PubChem CID54575460
IUPAC Name7-(1-tert-butylpyrazol-4-yl)-N-[[(3S)-3-fluoropiperidin-3-yl]methyl]-1,6-naphthyridin-5-amine
Molecular FormulaC21H27FN6
Molecular Weight382.5
XLogP2.6
Topological Polar Surface Area67.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity526
SMILES
CC(C)(C)N1C=C(C=N1)C2=NC(=C3C=CC=NC3=C2)NC[C@@]4(CCCNC4)F
InChI
InChI=1S/C21H27FN6/c1-20(2,3)28-12-15(11-26-28)17-10-18-16(6-4-9-24-18)19(27-17)25-14-21(22)7-5-8-23-13-21/h4,6,9-12,23H,5,7-8,13-14H2,1-3H3,(H,25,27)/t21-/m0/s1
InChIKey
KZHRNYBKXGVNJT-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of 7-(1-tert-butyl-1H-pyrazol-4-yl)-N-{[(3S)-3-fluoropiperidin-3-yl]methyl}-1,6-naphthyridin-5-amine
CAS: 1345458-66-3
CID: 54575460
Formula: C21H27FN6
MW: 382.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight382.5
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass382.22812305
Monoisotopic Mass382.22812305
Topological Polar Surface Area67.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes