| CAS Number | 2018282-44-3 |
| Catalog Number | AG01EOM7(AGN-PC-3H46FG) |
| Chemical Name | BMT-145027 |
| IUPAC Name | 3-[4-chloro-3-(trifluoromethyl)phenyl]-4-cyclopropyl-6-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile |
| InChI | InChI=1S/C23H14ClF3N4/c24-17-9-8-14(10-16(17)23(25,26)27)21-19-18(12-6-7-12)15(11-28)20(29-22(19)31-30-21)13-4-2-1-3-5-13/h1-5,8-10,12H,6-7H2,(H,29,30,31) |
| InChI Key | UXLUNMKSQUMWLH-UHFFFAOYSA-N |
| MDL Number | MFCD31382189 |
| Molecular Formula | C23H14ClF3N4 |
| Molecular Weight | 438.8323 |
| SMILES | C1(C2C=CC=CC=2)N=C2NN=C(C3C=C(C(F)(F)F)C(Cl)=CC=3)C2=C(C2CC2)C=1C#N |
| Synonyms | BMT-145027,
CHEMBL3951341,
2018282-44-3,
EX-A1657,
BDBM50201557,
AKOS032960382,
CS-6911,
HY-100728,
|
| Complexity | 699 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 438.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.838g/mol |
| Monoisotopic Mass | 438.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number