N-(2-dimethylaminoethyl)-6-[2-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-6-[2-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-6-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]thiazol-5-yl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-(2-dimethylaminoethyl)-6-[2-[[[2-fluoro-5-(trifluoromethyl)anilino]-oxomethyl]amino]-5-thiazolyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide IUPAC Name: N-(2-dimethylaminoethyl)-6-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-thiazol-5-yl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-6-[2-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]thiazol-5-yl]-1H-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C22H20F4N8O2S MolecularWeight: 536.505213

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=CC(=NC2=C1C=NN2)C3=CN=C(S3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F

Isomeric SMILES

CN(C)CCNC(=O)C1=CC(=NC2=C1C=NN2)C3=CN=C(S3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F

InChI

InChI=1S/C22H20F4N8O2S/c1-34(2)6-5-27-19(35)12-8-16(30-18-13(12)9-29-33-18)17-10-28-21(37-17)32-20(36)31-15-7-11(22(24,25)26)3-4-14(15)23/h3-4,7-10H,5-6H2,1-2H3,(H,27,35)(H,29,30,33)(H2,28,31,32,36)