| CAS Number | 755753-89-0 |
| Catalog Number | AG01E57Y(AGN-PC-0U7KZN) |
| Chemical Name | 4,6-Bis(4-fluorophenyl)-2-methyl-5-(4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine |
| IUPAC Name | 4,6-bis(4-fluorophenyl)-2-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine |
| InChI | InChI=1S/C24H16F2N4/c1-30-14-20-21(15-2-6-18(25)7-3-15)22(16-10-12-27-13-11-16)23(28-24(20)29-30)17-4-8-19(26)9-5-17/h2-14H,1H3 |
| InChI Key | VMAKTIDYMSNPOV-UHFFFAOYSA-N |
| MDL Number | MFCD30536377 |
| Molecular Formula | C24H16F2N4 |
| Molecular Weight | 398.4074 |
| SMILES | CN1C=C(C(C2=CC=C(F)C=C2)=C(C3=CC=NC=C3)C(C4=CC=C(F)C=C4)=N5)C5=N1 |
| Synonyms | Org 48762-0,
Org-48762-0,
ORG48762-0,
UR13870,
755753-89-0,
4,6-Bis(4-fluorophenyl)-2-methyl-5-(4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine,
SCHEMBL1386962,
Org 48762-0,
AKOS030210979,
UR-13756,
VMAKTIDYMSNPOV-UHFFFAOYSA-N,
|
| Complexity | 555 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 398.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 398.417g/mol |
| Monoisotopic Mass | 398.134g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number