| CAS Number | 1959537-86-0 |
| Catalog Number | AG01FNFF(AGN-PC-3H4BEH) |
| Chemical Name | FT827 |
| IUPAC Name | N-[2-[4-[4-hydroxy-4-[(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)methyl]piperidine-1-carbonyl]phenyl]phenyl]ethenesulfonamide |
| InChI | InChI=1S/C27H28N6O5S/c1-3-39(37,38)30-23-7-5-4-6-21(23)19-8-10-20(11-9-19)25(34)32-14-12-27(36,13-15-32)17-33-18-28-24-22(26(33)35)16-29-31(24)2/h3-11,16,18,30,36H,1,12-15,17H2,2H3 |
| InChI Key | GFNJQQBUZURQMA-UHFFFAOYSA-N |
| MDL Number | MFCD31657381 |
| Molecular Formula | C27H28N6O5S |
| Molecular Weight | 548.6134 |
| SMILES | Cn1ncc2c1ncn(CC1(O)CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1NS(=O)(=O)C=C)c2=O |
| Synonyms | FT827,
1959537-86-0,
N-(4'-(4-hydroxy-4-((1-methyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)methyl)piperidine-1-carbonyl)-[1,1'-biphenyl]-2-yl)ethenesulfonamide,
SCHEMBL17868922,
GFNJQQBUZURQMA-UHFFFAOYSA-N,
FT-827,
HY-111350,
CS-0039475,
|
| Complexity | 1060 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 548.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 548.618g/mol |
| Monoisotopic Mass | 548.184g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 146A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number