| CAS Number | 2212020-52-3 |
| Catalog Number | AG01FL5X(AGN-PC-3H4B22) |
| Chemical Name | 3-[(1S,2S)-1-[2-[[(4S)-2-(4-Fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2,3-dihydro-2-oxo-1H-imidazol-1-yl]-2,4,6,7-tetrahydro-4-methyl-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]-5-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-1H-indol-1-yl]-2-methylcyclopropyl]-1,2,4-oxadiazol-5(2H)-one |
| IUPAC Name | 3-[(1S,2S)-1-[5-[(4S)-2,2-dimethyloxan-4-yl]-2-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]indol-1-yl]-2-methylcyclopropyl]-1,2,4-oxadiazolidin-5-one |
| InChI | InChI=1S/C48H50F2N10O5/c1-25-18-32(19-26(2)40(25)49)60-42(58-16-15-57(46(58)63)37-11-10-36-33(41(37)50)24-51-55(36)7)39-28(4)56(14-12-34(39)53-60)43(61)38-21-31-20-29(30-13-17-64-47(5,6)23-30)8-9-35(31)59(38)48(22-27(48)3)44-52-45(62)65-54-44/h8-11,15-16,18-21,24,27-28,30,44,54H,12-14,17,22-23H2,1-7H3,(H,52,62)/t27-,28-,30-,44?,48-/m0/s1 |
| InChI Key | ODKSGLKPGFWSSB-BWIQJDIQSA-N |
| MDL Number | MFCD31807602 |
| Molecular Formula | C48H48F2N10O5 |
| Molecular Weight | 882.9555 |
| SMILES | C[C@@H]1[C@](C1)(N2C=3C(C=C2C(=O)N4[C@@H](C)C5=C(N(N=C5CC4)C6=CC(C)=C(F)C(C)=C6)N7C(=O)N(C=C7)C=8C(F)=C9C(=CC8)N(C)N=C9)=CC(=CC3)[C@@H]%10CC(C)(C)OCC%10)C=%11NC(=O)ON%11 |
| Synonyms | 2212020-52-3,
GLP-1 receptor agonist 1,
|
| Complexity | 1890 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 884.393g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 65 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 884.99g/mol |
| Monoisotopic Mass | 884.393g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 144A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number