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Chemical structure of GNF179

GC36172

GNF179

Also known as 2-amino-1-[3-(4-chloroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone

GNF179 is an optimized 8,8-dimethyl IP analog that exhibited the potency(4·8 nM against the multidrug resistant strain W2) in vitro metabolic stability and in vivo oral bioavailability

ChemicalCAS1261114-01-5MW427.9FormulaC22H23ClFN5O
CAS number
1261114-01-5
Molecular weight
427.9
Formula
C22H23ClFN5O
Solubility
DMSO： ≥ 125 mg/mL (292·12 mM)
InChIKey
KFSKTWYDIHJITF-UHFFFAOYSA-N
Catalogue number
GC36172
Brand
GLPBIO
Computed properties PubChem CID 58178960 · XLogP 3 · TPSA 76.2 Ų · H-bond donors 2
XLogP
3
TPSA
76.2 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30

SMILES CC1(C2=NC(=C(N2CCN1C(=O)CN)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F)C

Computed descriptors from PubChem (CID 58178960), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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