Divarasib

Chemical Information
Divarasib is an orally available inhibitor of the oncogenic KRAS substitution mutation, G12C, with potential antineoplastic activity. Upon oral administration, divarasib selectively targets the KRAS G12C mutant and inhibits KRAS G12C mutant-dependent signaling. KRAS, a member of the RAS family of oncogenes, serves an important role in cell signaling, division and differentiation. Mutations of KRAS may induce constitutive signal transduction leading to tumor cell growth, proliferation, invasion, and metastasis.
| CAS Number | 2417987-45-0 |
| PubChem CID | 146624881 |
| IUPAC Name | 1-[(3S)-4-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one |
| Molecular Formula | C29H32ClF4N7O2 |
| Molecular Weight | 622.1 |
| XLogP | 5.4 |
| Topological Polar Surface Area | 101 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 997 |
| Property | Value |
|---|---|
| Molecular Weight | 622.1 |
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Exact Mass | 621.2242136 |
| Monoisotopic Mass | 621.2242136 |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 997 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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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