| CAS Number | 1104599-69-0 |
| Catalog Number | AG01EOK8(AGN-PC-3H46EL) |
| Chemical Name | MK-4256 |
| IUPAC Name | 3-[(1R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole |
| InChI | InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22?,27-/m1/s1 |
| InChI Key | NTIFDLOQPKMIJK-RZIURPKCSA-N |
| MDL Number | MFCD25976577 |
| Molecular Formula | C27H23FN8O |
| Molecular Weight | 494.5229 |
| SMILES | N1C2=C(C=CC=C2)C2C[C@H](C3NC(C4=CC=C(F)C=C4)=CN=3)N[C@](C3N=C(C)ON=3)(C3=CN(C)N=C3)C1=2 |
| Synonyms | |
| Complexity | 815 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 494.198g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 494.534g/mol |
| Monoisotopic Mass | 494.198g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number