Infigratinib

Chemical Information
BGJ-398 is a member of the class of phenylureas that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 2,6-dichloro-3,5-dimethoxyphenyl group, while the hydrogens attached to the other nitrogen are replaced by a methyl group and a 6-{[4-(4-ethylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl group. It is a potent and selective fibroblast growth factor receptor inhibitor. It has a role as an antineoplastic agent and a fibroblast growth factor receptor antagonist. It is a member of phenylureas, a dichlorobenzene, an aminopyrimidine, a N-alkylpiperazine and a N-arylpiperazine.
| CAS Number | 872511-34-7 |
| PubChem CID | 53235510 |
| IUPAC Name | 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea |
| Molecular Formula | C26H31Cl2N7O3 |
| Molecular Weight | 560.5 |
| XLogP | 4.7 |
| Topological Polar Surface Area | 95.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 724 |
| Property | Value |
|---|---|
| Molecular Weight | 560.5 |
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 559.1865433 |
| Monoisotopic Mass | 559.1865433 |
| Topological Polar Surface Area | 95.1 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 724 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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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