| CAS Number | 1222776-76-2 |
| Catalog Number | AG01EO3X(AGN-PC-3H4666) |
| Chemical Name | WZ4141 |
| IUPAC Name | N-[3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]prop-2-enamide |
| InChI | InChI=1S/C16H13N3O2/c1-2-15(20)19-11-4-3-5-12(10-11)21-14-7-9-18-16-13(14)6-8-17-16/h2-10H,1H2,(H,17,18)(H,19,20) |
| InChI Key | TWGXYNUNPUPABD-UHFFFAOYSA-N |
| MDL Number | MFCD31560451 |
| Molecular Formula | C16H13N3O2 |
| Molecular Weight | 279.2933 |
| SMILES | C1C(OC2C=C(NC(C=C)=O)C=CC=2)=C2C=CNC2=NC=1 |
| Synonyms | WZ4141,
1222776-76-2,
CHEMBL1703381,
HMS2043L11,
CS-B1585,
CS-7667,
HY-103015,
2-Propenamide, N-[3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-,
|
| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.299g/mol |
| Monoisotopic Mass | 279.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number