| CAS Number | 1629229-37-3 |
| Catalog Number | AG01EOC7(AGN-PC-0WOBAG) |
| Chemical Name | Fezolinetant |
| IUPAC Name | (4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone |
| InChI | InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1 |
| InChI Key | PPSNFPASKFYPMN-SECBINFHSA-N |
| MDL Number | MFCD30532641 |
| Molecular Formula | C16H15FN6OS |
| Molecular Weight | 358.3933 |
| SMILES | Cc1nc(sn1)c2nnc3n2CCN([C@@H]3C)C(=O)c4ccc(cc4)F |
| UNII | 83VNE45KXX |
| Synonyms | ESN364,
fezolinetant,
Fezolinetant,
UNII-83VNE45KXX,
83VNE45KXX,
CHEMBL3608680,
ESN-364,
1629229-37-3,
SCHEMBL16114810,
BDBM50112244,
CS-7952,
SB19658,
HY-19632,
Methanone, ((8R)-5,6-dihydro-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1,2,4-triazolo(4,3-a)pyrazin-7(8H)-yl)(4-fluorophenyl)-,
|
| Complexity | 505 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.395g/mol |
| Monoisotopic Mass | 358.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number