N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[[1,6-diethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]methyl]-4-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-(2-ketopyrrolidino)benzamide Formula: C27H34N6O3 MolecularWeight: 490.59726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)C4=CC=C(C=C4)N5CCCC5=O

Isomeric SMILES

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)C4=CC=C(C=C4)N5CCCC5=O

InChI

InChI=1S/C27H34N6O3/c1-3-23-21(16-28-27(35)18-7-9-20(10-8-18)32-13-5-6-24(32)34)25(30-19-11-14-36-15-12-19)22-17-29-33(4-2)26(22)31-23/h7-10,17,19H,3-6,11-16H2,1-2H3,(H,28,35)(H,30,31)