| CAS Number | 1252594-99-2 |
| Catalog Number | AG009CBN(AGN-PC-0WNHEZ) |
| Chemical Name | ETP-46321 |
| IUPAC Name | 5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine |
| InChI | InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23) |
| InChI Key | OHKDVDMWRKFZRB-UHFFFAOYSA-N |
| MDL Number | MFCD28167821 |
| Molecular Formula | C20H27N9O3S |
| Molecular Weight | 473.5519 |
| SMILES | O=S(N1CCN(CC1)CC2=CN3C=C(C4=CN=C(N)N=C4)N=C(N5CCOCC5)C3=N2)(C)=O |
| Synonyms | ETP-46321,
ETP-46321,
1252594-99-2,
CHEMBL2087474,
SCHEMBL10100315,
BCP19935,
ETP46321,
EX-A1284,
BDBM50420714,
ZINC68247289,
AKOS030526355,
CS-3350,
ETP 46321;ETP46321,
HY-12340,
5-(2-((4-(methylsulfonyl)piperazin-1-yl)methyl)-8-morpholinoimidazo[1,2-a]pyrazin-6-yl)pyrimidin-2-amine,
5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-yl-imidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine,
A16271,
|
| Complexity | 746 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 473.196g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 473.556g/mol |
| Monoisotopic Mass | 473.196g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 144A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number