ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(3-ethoxycarbonylpiperidin-1-yl)pyrimidin-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-(3-ethoxycarbonylpiperidin-1-yl)pyrimidin-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-(3-ethoxycarbonyl-1-piperidyl)pyrimidin-2-yl]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-(3-ethoxycarbonyl-1-piperidinyl)-2-pyrimidinyl]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-(3-ethoxycarbonylpiperidin-1-yl)pyrimidin-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-(3-carbethoxypiperidino)pyrimidin-2-yl]amino]-6-ethyl-1,3-dimethyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-7-carboxylic acid ethyl ester Formula: C34H41F6N7O4 MolecularWeight: 725.724259

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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=N4)N5CCCC(C5)C(=O)OCC

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=N4)N5CCCC(C5)C(=O)OCC

InChI

InChI=1S/C34H41F6N7O4/c1-6-25-15-27(28-20(4)43-44(5)29(28)47(25)32(49)51-8-3)46(18-21-12-23(33(35,36)37)14-24(13-21)34(38,39)40)31-41-16-26(17-42-31)45-11-9-10-22(19-45)30(48)50-7-2/h12-14,16-17,22,25,27H,6-11,15,18-19H2,1-5H3