| CAS Number | 1191044-58-2 |
| Catalog Number | AG0097A5 |
| Chemical Name | GSK1059865 |
| IUPAC Name | [(2S,5S)-2-[[(5-bromopyridin-2-yl)amino]methyl]-5-methylpiperidin-1-yl]-(3-fluoro-2-methoxyphenyl)methanone |
| InChI | InChI=1S/C20H23BrFN3O2/c1-13-6-8-15(11-24-18-9-7-14(21)10-23-18)25(12-13)20(26)16-4-3-5-17(22)19(16)27-2/h3-5,7,9-10,13,15H,6,8,11-12H2,1-2H3,(H,23,24)/t13-,15-/m0/s1 |
| InChI Key | TWCRHJLMMAYSTE-ZFWWWQNUSA-N |
| MDL Number | MFCD31618413 |
| Molecular Formula | C20H23BrFN3O2 |
| Molecular Weight | 436.3179 |
| SMILES | C(N1C[C@@H](C)CC[C@H]1CNC1=NC=C(Br)C=C1)(C1=CC=CC(F)=C1OC)=O |
| Synonyms | 5-bromo-N-(1-(3-fluoro-2-methoxybenzoyl)-5-methylpiperidin-2-yl)methylpyridin-2-amine,
GSK 1059865,
GSK-1059865,
GSK1059865,
GSK1059865,
1191044-58-2,
C20H23BrFN3O2,
SCHEMBL1119696,
CHEMBL2413522,
AOB4287,
SYN5019,
ZINC96917227,
CS-7915,
NCGC00402232-02,
AS-16386,
HY-101534,
TWCRHJLMMAYSTE-ZFWWWQNUSA-N,
|
| Complexity | 498 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 435.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 436.325g/mol |
| Monoisotopic Mass | 435.096g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number