| CAS Number | 1513879-19-0 |
| Catalog Number | AG01EO95(AGN-PC-0WOAI6) |
| Chemical Name | KDU691 |
| IUPAC Name | N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide |
| InChI | InChI=1S/C22H18ClN5O2/c1-24-21(29)15-5-3-14(4-6-15)19-11-26-20-12-25-18(13-28(19)20)22(30)27(2)17-9-7-16(23)8-10-17/h3-13H,1-2H3,(H,24,29) |
| InChI Key | TYMFFISSODJRDV-UHFFFAOYSA-N |
| MDL Number | MFCD28963927 |
| Molecular Formula | C22H18ClN5O2 |
| Molecular Weight | 419.8636 |
| SMILES | ClC1=CC=C(C=C1)N(C(=O)C=1N=CC=2N(C1)C(=CN2)C2=CC=C(C=C2)C(NC)=O)C |
| Synonyms | KDU691,
1513879-19-0,
N-(4-chlorophenyl)-N-methyl-3-(4-(methylcarbamoyl)phenyl)imidazo[1,2-a]pyrazine-6-carboxamide,
N-(4-chlorophenyl)-N-methyl-3-[4-(methylcarbamoyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide,
CHEMBL3325608,
SCHEMBL15717646,
TYMFFISSODJRDV-UHFFFAOYSA-N,
AKOS032947070,
HY-12912,
CS-0012775,
A17066,
|
| Complexity | 619 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 419.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 419.869g/mol |
| Monoisotopic Mass | 419.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number