BGB-3245 (Brimarafenib)

Chemical Information
Brimarafenib is a small molecule drug. The usage of the INN stem '-rafenib' in the name indicates that Brimarafenib is a Raf (rapidly accelerated fibrosarcoma) kinase inhibitor. Brimarafenib is under investigation in clinical trial NCT04249843 (Study of Safety, Pharmacokinetics, and Antitumor Activity of BGB-3245 in Participants with Advanced or Refractory Tumors). Brimarafenib has a monoisotopic molecular weight of 482.12 Da.
| CAS Number | 1643326-82-2 |
| PubChem CID | 117807031 |
| IUPAC Name | 1-[(1S,1aS,6bS)-5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)urea |
| Molecular Formula | C24H17F3N4O4 |
| Molecular Weight | 482.4 |
| XLogP | 2.6 |
| Topological Polar Surface Area | 102 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 839 |
| Property | Value |
|---|---|
| Molecular Weight | 482.4 |
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 482.12018952 |
| Monoisotopic Mass | 482.12018952 |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 839 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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