ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]methyl]amino]-1,3-oxazole-4-carboxylate

Systemtic Name: ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]methyl]amino]-1,3-oxazole-4-carboxylate Openeye Name: ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]methyl]amino]oxazole-4-carboxylate CAS Name: 2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl]methyl]amino]-4-oxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl]methyl]amino]-1,3-oxazole-4-carboxylate Traditional Name: 2-[[3,5-bis(trifluoromethyl)benzyl]-[[6-[cyclopentylmethyl(ethyl)amino]-1,3-dimethyl-pyrazolo[3,4-b]pyridin-5-yl]methyl]amino]oxazole-4-carboxylic acid ethyl ester Formula: C32H36F6N6O3 MolecularWeight: 666.657059

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCCC1)C2=C(C=C3C(=NN(C3=N2)C)C)CN(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NC(=CO5)C(=O)OCC

Isomeric SMILES

CCN(CC1CCCC1)C2=C(C=C3C(=NN(C3=N2)C)C)CN(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NC(=CO5)C(=O)OCC

InChI

InChI=1S/C32H36F6N6O3/c1-5-43(15-20-9-7-8-10-20)27-22(13-25-19(3)41-42(4)28(25)40-27)17-44(30-39-26(18-47-30)29(45)46-6-2)16-21-11-23(31(33,34)35)14-24(12-21)32(36,37)38/h11-14,18,20H,5-10,15-17H2,1-4H3