| CAS Number | 2137047-43-7 |
| Catalog Number | AG01EOM9(AGN-PC-3H46FH) |
| Chemical Name | VU6005649 |
| IUPAC Name | 3-(2,3-difluoro-4-methoxyphenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C16H12F5N3O/c1-7-6-11(16(19,20)21)24-15(22-7)12(8(2)23-24)9-4-5-10(25-3)14(18)13(9)17/h4-6H,1-3H3 |
| InChI Key | NYBZCKAQIIPSDS-UHFFFAOYSA-N |
| MDL Number | MFCD31619260 |
| Molecular Formula | C16H12F5N3O |
| Molecular Weight | 357.2780 |
| SMILES | FC1=C(C=CC(=C1F)OC)C=1C(=NN2C1N=C(C=C2C(F)(F)F)C)C |
| Synonyms | VU6005649,
2137047-43-7,
BCP26082,
EX-A2616,
HY-107982,
CS-0031100,
VU 6005649,
3-(2,3-difluoro-4-methoxyphenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine,
|
| Complexity | 479 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.284g/mol |
| Monoisotopic Mass | 357.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number