| CAS Number | 2098466-94-3 |
| Catalog Number | AG01EO62(AGN-PC-3H468M) |
| Chemical Name | TyK2-IN-2 |
| IUPAC Name | 6-(3,5-dimethylanilino)-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide |
| InChI | InChI=1S/C16H18N6O/c1-9-4-10(2)6-11(5-9)20-14-7-12(18-3)16-19-8-13(15(17)23)22(16)21-14/h4-8,18H,1-3H3,(H2,17,23)(H,20,21) |
| InChI Key | SNVFFECYFQEWTL-UHFFFAOYSA-N |
| MDL Number | MFCD31544329 |
| Molecular Formula | C16H18N6O |
| Molecular Weight | 310.3537 |
| SMILES | CC=1C=C(C=C(C1)C)NC=1C=C(C=2N(N1)C(=CN2)C(=O)N)NC |
| Synonyms | TYK2-IN-2,
2098466-94-3,
6-[(3,5-Dimethylphenyl)amino]-8-(Methylamino)imidazo[1,2-B]pyridazine-3-Carboxamide,
CS-7482,
HY-101762,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.361g/mol |
| Monoisotopic Mass | 310.154g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 97.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number