ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2H-1,2,3,4-tetrazol-5-yl)pyridin-2-yl]amino]-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-7-carboxylate

Systemtic Name: ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2H-1,2,3,4-tetrazol-5-yl)pyridin-2-yl]amino]-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-7-carboxylate Openeye Name: ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2H-tetrazol-5-yl)-2-pyridyl]amino]-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-7-carboxylate CAS Name: 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2H-tetrazol-5-yl)-2-pyridinyl]amino]-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2H-tetrazol-5-yl)pyridin-2-yl]amino]-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-7-carboxylate Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzyl]-[5-(2H-tetrazol-5-yl)-2-pyridyl]amino]-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-7-carboxylic acid ethyl ester Formula: C28H29F6N9O2 MolecularWeight: 637.579379

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C2=C(N1C(=O)OCC)N(N=C2C)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=C4)C5=NNN=N5

Isomeric SMILES

CCC1CC(C2=C(N1C(=O)OCC)N(N=C2C)C)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=C4)C5=NNN=N5

InChI

InChI=1S/C28H29F6N9O2/c1-5-20-12-21(23-15(3)38-41(4)25(23)43(20)26(44)45-6-2)42(22-8-7-17(13-35-22)24-36-39-40-37-24)14-16-9-18(27(29,30)31)11-19(10-16)28(32,33)34/h7-11,13,20-21H,5-6,12,14H2,1-4H3,(H,36,37,39,40)