| CAS Number | 1259536-62-3 |
| Catalog Number | AG01ENLO(AGN-PC-3H45P6) |
| Chemical Name | 5-(2,6-Dichloro-5-fluoro-3-pyridinyl)-3-phenyl-2-(trifluoromethyl)-pyrazolo[1,5-a]pyrimidin-7(4H)-one |
| IUPAC Name | 5-(2,6-dichloro-5-fluoropyridin-3-yl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one |
| InChI | InChI=1S/C18H8Cl2F4N4O/c19-15-9(6-10(21)16(20)26-15)11-7-12(29)28-17(25-11)13(8-4-2-1-3-5-8)14(27-28)18(22,23)24/h1-7,27H |
| InChI Key | ZOLHKPWSDFSDKA-UHFFFAOYSA-N |
| MDL Number | MFCD30182255 |
| Molecular Formula | C18H8Cl2F4N4O |
| Molecular Weight | 443.1819 |
| SMILES | O=C1N2C(=C(C(C(F)(F)F)=N2)C2=CC=CC=C2)NC(C2=C(Cl)N=C(Cl)C(F)=C2)=C1 |
| Synonyms | CHEMBL1689654,
1259536-62-3,
5-(2,6-Dichloro-5-fluoro-3-pyridinyl)-3-phenyl-2-(trifluoromethyl)-pyrazolo[1,5-a]pyrimidin-7(4H)-one,
QO-58,
GTPL7669,
SCHEMBL10062354,
QO 58,
BDBM50339281,
AKOS027470159,
ZINC101404854,
5-(2,6-dichloro-5-fluoropyridin-3-yl)-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one,
5-(2,6-Dichloro-5-fluoropyridin-3-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one,
D08ATZ,
ZOLHKPWSDFSDKA-UHFFFAOYSA-N,
|
| Complexity | 791 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 442.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 443.183g/mol |
| Monoisotopic Mass | 442.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
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Certificate of Analysis
Lot Number