Account (S)-2-(3'-(Hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4'-bipyridin]-2'-yl)-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one
- Catalog No. :
- ACQIDT854
- CAS No. :
- 1434048-34-6
- Molecular Formula :
- C37H44N8O4
- Molecular Weight :
- 664.81
IUPAC Name:(S)-2-(3'-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4'-bipyridin]-2'-yl)-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one
![(S)-2-(3'-(Hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4'-bipyridin]-2'-yl)-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (S)-2-(3'-(Hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4'-bipyridin]-2'-yl)-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one |
|---|---|
| IUPAC Name | (S)-2-(3'-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4'-bipyridin]-2'-yl)-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one |
| MDL No. | MFCD30489729 |
| Molecular Formula | C37H44N8O4 |
| Molecular Weight | 664.81 |
| SMILES | O=C1C(N2CCN1C3=NC=CC(C(C=C4NC5=NC=C(N6[C@@H](C)CN(C7COC7)CC6)C=C5)=CN(C)C4=O)=C3CO)=CC8=C2CC(C)(C)C8 |
| InChI Key | WNEODWDFDXWOLU-QHCPKHFHSA-N |
| Synonym | Q23304817 | A904370 | GDC-0853(RG7845) | UNII-E9L2885WUL | E9L2885WUL | DB14785 | Fenebrutinib | 9AJ | BDBM50244440 | GDC 0853 | s8421 | Example 130 [US20140194408] | NCGC00261176-01 | (S)-2-(3'-(HYDROXYMETHYL)-1-METHYL-5-((5-(2-METHYL- 4-(OXETAN-3-YL)PIP |
| CAS No. | 1434048-34-6 |
| PubChem CID | 86567195 |
Synthetic Route by SureRoute
2. ACQIDT854 Molecular Building Block Synthetic Route
Fenebrutinib HCl
4-((2-((S)-4-(6-((2'-(7,7-Dimethyl-1-oxo-1,3,4,6,7,8-hexahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo-1,6-dihydro-[3,4'-bipyridin]-5-yl)amino)pyridin-3-yl)-3-methylpiperazin-1-yl)-2-oxoethyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
(S)-N-(5-((6-(2-(7,7-Dimethyl-1-oxo-1,3,4,6,7,8-hexahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2-yl)-3-(hydroxymethyl)pyridin-4-yl)-4-methyl-3-oxo-3,4-dihydropyrazin-2-yl)amino)-2-(2-methyl-4-(tetrahydro-2H-pyran-4-yl)piperazin-1-yl)phenyl)acrylamide