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Chemical structure of anti-TB agent 1

GC70589

anti-TB agent 1

Also known as 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

anti-TB agent 1 is a potent and orally active anti-tuberculosis agent, with MICs of < 2 nM against the Mtb strains H37Rv, rRMP and rINH

ChemicalCAS2294013-78-6MW456.42FormulaC23H19F3N4O3
CAS number
2294013-78-6
Molecular weight
456.42
Formula
C23H19F3N4O3
InChIKey
FJXCWOFMPQOVBV-UHFFFAOYSA-N
Catalogue number
GC70589
Brand
GLPBIO
Computed properties PubChem CID 138377595 · XLogP 4 · TPSA 77.8 Ų · H-bond donors 1
XLogP
4
TPSA
77.8 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
33

SMILES CC1=NN2C=CC(=CC2=C1C(=O)NCC3=NC=C(C=C3)C4=CC=C(C=C4)OC(F)(F)F)OC

Computed descriptors from PubChem (CID 138377595), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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