| CAS Number | 1919888-06-4 |
| Catalog Number | AG01FNPX(AGN-PC-3H4BH9) |
| Chemical Name | LY3295668 |
| IUPAC Name | (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl]methyl]-2-methylpiperidine-4-carboxylic acid |
| InChI | InChI=1S/C24H26ClF2N5O2/c1-14-10-21(31-30-14)29-20-7-6-18(26)19(28-20)12-24(23(33)34)8-9-32(15(2)11-24)13-16-4-3-5-17(25)22(16)27/h3-7,10,15H,8-9,11-13H2,1-2H3,(H,33,34)(H2,28,29,30,31)/t15-,24-/m1/s1 |
| InChI Key | YQQZZYYQTCPEAS-OYLFLEFRSA-N |
| MDL Number | MFCD31807628 |
| Molecular Formula | C24H26ClF2N5O2 |
| Molecular Weight | 489.9453 |
| SMILES | O=C([C@@]1(CC2=NC(NC3=NNC(C)=C3)=CC=C2F)C[C@@H](C)N(CC4=CC=CC(Cl)=C4F)CC1)O |
| Synonyms | LY3295668,
(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid,
1919888-06-4,
SCHEMBL17747406,
YQQZZYYQTCPEAS-OYLFLEFRSA-N,
LY3295668 (Synonyms: AK-01),
HY-114258,
CS-0080775,
A16869,
(2R,4R)-1-[(3-Chloro-2-fluoro-phenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridyl]methyl]-2-methyl-piperidine-4-carboxylic acid,
EG7,
|
| Complexity | 708 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 489.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 489.952g/mol |
| Monoisotopic Mass | 489.174g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 94.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number