| CAS Number | 1628607-64-6 |
| Catalog Number | AG01ENX8(AGN-PC-3H464H) |
| Chemical Name | INCB054329 |
| IUPAC Name | 7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one |
| InChI | InChI=1S/C19H16N4O3/c1-10-16(11(2)26-22-10)12-6-7-14-17-18(12)25-9-15(23(17)19(24)21-14)13-5-3-4-8-20-13/h3-8,15H,9H2,1-2H3,(H,21,24) |
| InChI Key | XYLPKCDRAAYATL-UHFFFAOYSA-N |
| MDL Number | MFCD31631585 |
| Molecular Formula | C19H16N4O3 |
| Molecular Weight | 348.3553 |
| SMILES | CC1=NOC(=C1C1=C2OC[C@@H](N3C(NC(C=C1)=C32)=O)C3=NC=CC=C3)C |
| Synonyms | INCB054329,
INCB054329 Racemate,
INCB054329,
1628607-64-6,
7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin-2-yl-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazin-2(1H)-one,
SCHEMBL16036968,
US9624241, Example 13,
XYLPKCDRAAYATL-UHFFFAOYSA-N,
BDBM318468,
HY-112504A,
CS-0046675,
|
| Complexity | 561 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.362g/mol |
| Monoisotopic Mass | 348.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number