methyl 3-[[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[1-ethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[[1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridine-5-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O4/c1-3-29-23-18(15-26-29)22(27-17-9-11-33-12-10-17)19(14-25-23)24(31)28-20(13-21(30)32-2)16-7-5-4-6-8-16/h4-8,14-15,17,20H,3,9-13H2,1-2H3,(H,25,27)(H,28,31)