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

Systemtic Name: 4-acetamido-N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide Openeye Name: 4-acetamido-N-[[1-ethyl-6-methyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide CAS Name: 4-acetamido-N-[[1-ethyl-6-methyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]methyl]benzamide IUPAC Name: 4-acetamido-N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide Traditional Name: 4-acetamido-N-[[1-ethyl-6-methyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]benzamide Formula: C24H30N6O3 MolecularWeight: 450.5334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC(=C(C(=C2C=N1)NC3CCOCC3)CNC(=O)C4=CC=C(C=C4)NC(=O)C)C

Isomeric SMILES

CCN1C2=NC(=C(C(=C2C=N1)NC3CCOCC3)CNC(=O)C4=CC=C(C=C4)NC(=O)C)C

InChI

InChI=1S/C24H30N6O3/c1-4-30-23-21(14-26-30)22(29-19-9-11-33-12-10-19)20(15(2)27-23)13-25-24(32)17-5-7-18(8-6-17)28-16(3)31/h5-8,14,19H,4,9-13H2,1-3H3,(H,25,32)(H,27,29)(H,28,31)