methyl 3-[(1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[(1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]-4-fluoro-benzoate CAS Name: 3-[[(1-ethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[(1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-fluorobenzoate Traditional Name: 3-[[1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carbonyl]amino]-4-fluoro-benzoic acid methyl ester Formula: C21H17FN4O3S MolecularWeight: 424.448083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C(C=CC(=C4)C(=O)OC)F

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C(C=CC(=C4)C(=O)OC)F

InChI

InChI=1S/C21H17FN4O3S/c1-3-26-19-14(11-23-26)13(10-17(24-19)18-5-4-8-30-18)20(27)25-16-9-12(21(28)29-2)6-7-15(16)22/h4-11H,3H2,1-2H3,(H,25,27)