| CAS Number | 245747-71-1 |
| Catalog Number | AG01EOKG(AGN-PC-3H46EO) |
| Chemical Name | NFAT Transcription Factor Regulator |
| IUPAC Name | N-[4-[5-(difluoromethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide |
| InChI | InChI=1S/C17H10F6N4O2/c18-12-8-24-6-5-11(12)15(28)25-9-1-3-10(4-2-9)27-14(29-16(19)20)7-13(26-27)17(21,22)23/h1-8,16H,(H,25,28) |
| InChI Key | XGCRLPUGFWHAGJ-UHFFFAOYSA-N |
| MDL Number | MFCD31715449 |
| Molecular Formula | C17H10F6N4O2 |
| Molecular Weight | 416.2773 |
| SMILES | FC(Oc1cc(nn1c1ccc(cc1)NC(=O)c1ccncc1F)C(F)(F)F)F |
| Synonyms | NFAT Transcription Factor Regulator,
245747-71-1,
CHEMBL103517,
SCHEMBL7324778,
HY-112778,
CS-0063874,
N-[4-[3-(Trifluoromethyl)-5-(difluoromethoxy)-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide,
CID9931706,
N-[4-[5-(difluoromethoxy)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoro-pyridine-4-carboxamide,
|
| Complexity | 559 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 416.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 416.283g/mol |
| Monoisotopic Mass | 416.071g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 69A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number