| CAS Number | 1627856-64-7 |
| Catalog Number | AG01EO4W |
| Chemical Name | GSK3179106 |
| IUPAC Name | 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]acetamide |
| InChI | InChI=1S/C22H21F4N3O4/c1-4-32-16-9-19(30)27-11-14(16)12-5-6-13(15(23)7-12)8-20(31)28-18-10-17(33-29-18)21(2,3)22(24,25)26/h5-7,9-11H,4,8H2,1-3H3,(H,27,30)(H,28,29,31) |
| InChI Key | IDXKJSSOUXWLDB-UHFFFAOYSA-N |
| MDL Number | MFCD30747847 |
| Molecular Formula | C22H21F4N3O4 |
| Molecular Weight | 467.4135 |
| SMILES | O=C(NC1=NOC(C(C)(C)C(F)(F)F)=C1)CC2=CC=C(C(C(OCC)=C3)=CNC3=O)C=C2F |
| Synonyms | RET Kinase inhibitor 1,
GSK3179106,
1627856-64-7,
RET Kinase inhibitor 1?,
CHEMBL3355009,
SCHEMBL16055027,
IDXKJSSOUXWLDB-UHFFFAOYSA-N,
BCP23560,
CS-7799,
HY-100459,
2-(4-(4-ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fluorophenyl)-N-(5-(1,1,1-trifluoro-2-methylpropan-2-yl)isoxazol-3-yl)acetamide,
|
| Complexity | 812 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 467.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 467.421g/mol |
| Monoisotopic Mass | 467.147g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 93.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number