| CAS Number | 1256269-87-0 |
| Catalog Number | AG01ENHR(AGN-PC-3H45LO) |
| Chemical Name | Ethyl8'-methyl-2',4-dioxo-2-(piperidin-1-yl)-2'H-spiro[cyclopent[2]ene-1,3'-imidazo[1,2-a]pyridine]-3-carboxylate |
| IUPAC Name | ethyl 8'-methyl-2',5-dioxo-2-piperidin-1-ylspiro[cyclopentene-3,3'-imidazo[1,2-a]pyridine]-1-carboxylate |
| InChI | InChI=1S/C20H23N3O4/c1-3-27-18(25)15-14(24)12-20(16(15)22-9-5-4-6-10-22)19(26)21-17-13(2)8-7-11-23(17)20/h7-8,11H,3-6,9-10,12H2,1-2H3 |
| InChI Key | WZHBYTVHUFURPY-UHFFFAOYSA-N |
| MDL Number | MFCD31689245 |
| Molecular Formula | C20H23N3O4 |
| Molecular Weight | 369.4143 |
| SMILES | O=C(OCC)C1C(=O)CC2(C(=O)N=C3N2C=CC=C3C)C=1N1CCCCC1 |
| Synonyms | 1256269-87-0,
SAK3,
SAK 3,
SAK-3,
SCHEMBL16451630,
SAK3, >=98% (HPLC),
Ethyl 8'-methyl-2',4-dioxo-2-(piperidin-1-yl)-2'H-spiro[cyclopent[2]ene-1,3'-imidazo[1,2-a]pyridine]-3-carboxylate,
Ethyl8'-methyl-2',4-dioxo-2-(piperidin-1-yl)-2'H-spiro[cyclopent[2]ene-1,3'-imidazo[1,2-a]pyridine]-3-carboxylate,
|
| Complexity | 845 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 369.421g/mol |
| Monoisotopic Mass | 369.169g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number