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Chemical structure of JAK inhibitor 1

GC31866

JAK inhibitor 1

Also known as 5-ethyl-2-fluoro-4-[3-[5-(1-methylpiperidin-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol

JAK inhibitor 1 is an inhibitor of JAK extracted from patent US20170121327A1, compound example 283

ChemicalCAS2096999-92-5MW474.57FormulaC27H31FN6O
CAS number
2096999-92-5
Molecular weight
474.57
Formula
C27H31FN6O
Solubility
Soluble in DMSO
InChIKey
YEGFDJOAFMPJSE-UHFFFAOYSA-N
Catalogue number
GC31866
Brand
GLPBIO
Computed properties PubChem CID 137226770 · XLogP 4.1 · TPSA 84.1 Ų · H-bond donors 3
XLogP
4.1
TPSA
84.1 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
35

SMILES CCC1=CC(=C(C=C1C2=CC3=C(C=C2)C(=NN3)C4=NC5=C(N4)CN(CC5)C6CCN(CC6)C)F)O

Computed descriptors from PubChem (CID 137226770), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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