3-(1,1-Dimethylethyl)-N-[(1R)-1-[2-methyl-4-[6-[5-[4-[[1-[4-(tetrahydro-2,4-dioxo-1(2H)-pyrimidinyl)phenyl]-4-piperidinyl]methyl]-1-piperazinyl]-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide, 95%, 95%

cas: 2736508-65-7 — see every product listed under this CAS number, including other names

3-(1,1-Dimethylethyl)-N-[(1R)-1-[2-methyl-4-[6-[5-[4-[[1-[4-(tetrahydro-2,4-dioxo-1(2H)-pyrimidinyl)phenyl]-4-piperidinyl]methyl]-1-piperazinyl]-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide, 95%, 95% (CAS 2736508-65-7) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 250mg. Offered by: Chemat.

• 2D
• 3D

3-tert-butyl-N-[(1R)-1-[4-[6-[5-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide (CAS 2736508-65-7) is a chemical compound with the molecular formula C47H54N12O4 and a molecular weight of 851.0 g/mol. IUPAC name: 3-tert-butyl-N-[(1R)-1-[4-[6-[5-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide. InChIKey: ZCCDEUMTSSCBFV-SSEXGKCCSA-N.

Identity

Molecular formula	C47H54N12O4
Molecular weight	851.0 g/mol
IUPAC name	3-tert-butyl-N-[(1R)-1-[4-[6-[5-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide
InChIKey	ZCCDEUMTSSCBFV-SSEXGKCCSA-N
SMILES	CC1=C(C=CC(=C1)C2=C3C=C(NC3=NC=N2)C4=NC=C(C=C4)N5CCN(CC5)CC6CCN(CC6)C7=CC=C(C=C7)N8CCC(=O)NC8=O)[C@@H](C)NC(=O)C9=NC(=NO9)C(C)(C)C

Computed by PubChem (NCBI)

Synonyms: PROTAC BTK Degrader-12, orb2945760

Isomers (same molecular formula)

3-tert-butyl-N-[(1R)-1-[4-[6-[6-[4-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-methylphenyl]ethyl]-1,2,4-oxadiazole-5-carboxamide C₄₇H₅₄N₁₂O₄