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

Systemtic Name: N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-2-methoxy-5-oxidanyl-4-propan-2-yl-benzamide Openeye Name: N-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-5-hydroxy-4-isopropyl-2-methoxy-benzamide CAS Name: N-[[1,6-diethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]methyl]-5-hydroxy-2-methoxy-4-propan-2-ylbenzamide IUPAC Name: N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-5-hydroxy-2-methoxy-4-propan-2-ylbenzamide Traditional Name: N-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-5-hydroxy-4-isopropyl-2-methoxy-benzamide Formula: C27H37N5O4 MolecularWeight: 495.61378

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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=C4OC)C(C)C)O

Isomeric SMILES

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)C4=CC(=C(C=C4OC)C(C)C)O

InChI

InChI=1S/C27H37N5O4/c1-6-22-20(14-28-27(34)19-12-23(33)18(16(3)4)13-24(19)35-5)25(30-17-8-10-36-11-9-17)21-15-29-32(7-2)26(21)31-22/h12-13,15-17,33H,6-11,14H2,1-5H3,(H,28,34)(H,30,31)