methyl 4-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoate

Systemtic Name: methyl 4-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoate Openeye Name: methyl 4-[3-methyl-6-(3-pyridyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoate CAS Name: 4-[3-methyl-6-(3-pyridinyl)-4-(trifluoromethyl)-1-pyrazolo[3,4-b]pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoate Traditional Name: 4-[3-methyl-6-(3-pyridyl)-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]benzoic acid methyl ester Formula: C21H15F3N4O2 MolecularWeight: 412.36461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CN=CC=C3)C(F)(F)F)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CN=CC=C3)C(F)(F)F)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H15F3N4O2/c1-12-18-16(21(22,23)24)10-17(14-4-3-9-25-11-14)26-19(18)28(27-12)15-7-5-13(6-8-15)20(29)30-2/h3-11H,1-2H3