| CAS Number | 1458630-17-5 |
| Catalog Number | AG00ATE9 |
| Chemical Name | CHR 6494 trifluoroacetate |
| IUPAC Name | 3-(1H-indazol-5-yl)-N-propylimidazo[1,2-b]pyridazin-6-amine;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C16H16N6.C2HF3O2/c1-2-7-17-15-5-6-16-18-10-14(22(16)21-15)11-3-4-13-12(8-11)9-19-20-13;3-2(4,5)1(6)7/h3-6,8-10H,2,7H2,1H3,(H,17,21)(H,19,20);(H,6,7) |
| InChI Key | ILWYDZNXJQESDI-UHFFFAOYSA-N |
| MDL Number | MFCD24849399 |
| Molecular Formula | C18H17F3N6O2 |
| Molecular Weight | 406.3618 |
| SMILES | FC(C(=O)O)(F)F.N1N=CC2=CC(=CC=C12)C1=CN=C2N1N=C(C=C2)NCCC |
| Synonyms | CHR-6494 TFA salt,
CHR 6494 trifluoroacetate,
1458630-17-5,
3-(1H-Indazol-5-yl)-N-propylimidazo[1,2-b]pyridazin-6-amine trifluoroacetate,
AOB1402,
SYN5064,
1333377-65-3 (free base),
AKOS025142090,
AS-16430,
CHR-6494 trifluoroacetate salt, >=98% (HPLC),
C18H17F3N6O2,
1333377-65-3,
|
| Complexity | 461 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 406.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 406.369g/mol |
| Monoisotopic Mass | 406.137g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number