tert-butyl 4-[2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate CAS Name: 4-[2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H24FN5O2 MolecularWeight: 397.445963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN5O2/c1-21(2,3)29-20(28)27-12-10-26(11-13-27)17-9-8-16-19(24-17)25-18(23-16)14-4-6-15(22)7-5-14/h4-9H,10-13H2,1-3H3,(H,23,24,25)