| CAS Number | 1005775-56-3 |
| Catalog Number | AG0096X5(AGN-PC-0WBNRW) |
| Chemical Name | ASK1 Inhibitor 10 |
| IUPAC Name | 4-tert-butyl-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide;dihydrochloride |
| InChI | InChI=1S/C21H21N5O.2ClH/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25;;/h4-14H,1-3H3,(H,24,27);2*1H |
| InChI Key | IKKLFEDUYFZNBO-UHFFFAOYSA-N |
| MDL Number | MFCD26792581 |
| Molecular Formula | C21H23Cl2N5O |
| Molecular Weight | 432.3462 |
| SMILES | Cl.Cl.N1(C=NC=C1)C=1C=CC=2N(C1)C=C(N2)NC(C2=CC=C(C=C2)C(C)(C)C)=O |
| Synonyms | TC ASK 10,
1005775-56-3,
ASK1 Inhibitor 10,
TCASK10,
SCHEMBL3485627,
IKKLFEDUYFZNBO-UHFFFAOYSA-N,
AKOS024458365,
J-000167,
4-tert-butyl-N-[6-(1H-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]benzamide dihydrochloride,
N-(6-(1H-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide dihydrochloride,
1005775-55-2,
4-(1,1-Dimethylethyl)-N-[6-(1H-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]benzamide dihydrochloride,
|
| Complexity | 525 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 431.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 432.349g/mol |
| Monoisotopic Mass | 431.128g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number