| CAS Number | 1820565-69-2 |
| Catalog Number | AG0023B6 |
| Chemical Name | PIM-447 (dihydrochloride) |
| IUPAC Name | N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;dihydrochloride |
| InChI | InChI=1S/C24H23F3N4O.2ClH/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26;;/h2-8,12-15H,9-11,28H2,1H3,(H,31,32);2*1H/t13-,14+,15-;;/m0../s1 |
| InChI Key | BVRSHQQSBGCMJE-ALGQTRDQSA-N |
| MDL Number | MFCD30489747 |
| Molecular Formula | C24H25Cl2F3N4O |
| Molecular Weight | 513.3827 |
| SMILES | Cl.C1(C(NC2=C([C@@H]3C[C@H](C)C[C@H](N)C3)C=CN=C2)=O)=NC(C2=C(F)C=CC=C2F)=C(F)C=C1.Cl |
| Synonyms | PIM-447 (dihydrochloride),
1820565-69-2,
HY-19322B,
AKOS032945087,
CS-5941,
2-Pyridinecarboxamide, N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoro-, hydrochloride (1:2),
PIM-447 dihydrochloride,
|
| Complexity | 630 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 512.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 513.386g/mol |
| Monoisotopic Mass | 512.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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