| CAS Number | 1613439-62-5 |
| Catalog Number | AG00ATA5(AGN-PC-0WBNJG) |
| Chemical Name | PF-05274857 HCl |
| IUPAC Name | 1-[4-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperazin-1-yl]-3-methylsulfonylpropan-1-one;hydrochloride |
| InChI | InChI=1S/C20H25ClN4O3S.ClH/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28;/h10-13H,4-9H2,1-3H3;1H |
| InChI Key | GULNFUQAVPTTQV-UHFFFAOYSA-N |
| MDL Number | MFCD24387542 |
| Molecular Formula | C20H26Cl2N4O3S |
| Molecular Weight | 473.4164 |
| SMILES | ClC3(=C(C1(=NC=C(C)C=C1C))C=C(N2(CCN(C(=O)CCS(=O)(=O)C)CC2))N=C3).Cl |
| Synonyms | 1613439-62-5,
PF-05274857 HCl,
PF 5274857 hydrochloride,
PF 5274857 HCl,
C20H25ClN4O3S.HCl,
PF 05274857 hydrochloride,
SYN3008,
AKOS024458549,
AS-16354,
PF-5274857 hydrochloride, >=98% (HPLC),
1-(4-(5'-chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)piperazin-1-yl)-3-(methylsulfonyl)propan-1-one hydrochloride,
1-[4-(5'-Chloro-3,5-dimethyl[2,4'-bipyridin]-2'-yl-1-piperazinyl]-3-(methylsulfonyl)-1-propanone hydrochloride,
GULNFUQAVPTTQV-UHFFFAOYSA-N,
PF-05274857 hydrochloride >/=95%,
1373615-35-0,
|
| Complexity | 663 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 472.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 473.413g/mol |
| Monoisotopic Mass | 472.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number