N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-8-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]octanamide

Systemtic Name: N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-8-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]octanamide Openeye Name: N-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-8-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]octanamide CAS Name: N-[[1,6-diethyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]methyl]-8-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]octanamide IUPAC Name: N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-8-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]octanamide Traditional Name: N-[[1,6-diethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-8-[(2S)-2-(methoxymethyl)pyrrolidino]caprylamide Formula: C30H50N6O3 MolecularWeight: 542.7564

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)CCCCCCCN4CCCC4COC

Isomeric SMILES

CCC1=C(C(=C2C=NN(C2=N1)CC)NC3CCOCC3)CNC(=O)CCCCCCCN4CCC[C@H]4COC

InChI

InChI=1S/C30H50N6O3/c1-4-27-25(29(33-23-14-18-39-19-15-23)26-21-32-36(5-2)30(26)34-27)20-31-28(37)13-9-7-6-8-10-16-35-17-11-12-24(35)22-38-3/h21,23-24H,4-20,22H2,1-3H3,(H,31,37)(H,33,34)/t24-/m0/s1