| CAS Number | 943540-74-7 |
| Catalog Number | AG01EO8T(AGN-PC-3H46A2) |
| Chemical Name | 6-[Difluoro[6-(4-pyridinyl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline |
| IUPAC Name | 6-[difluoro-(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline |
| InChI | InChI=1S/C20H12F2N6/c21-20(22,15-3-4-16-14(12-15)2-1-9-24-16)19-26-25-18-6-5-17(27-28(18)19)13-7-10-23-11-8-13/h1-12H |
| InChI Key | KOAWAWHSMVKCON-UHFFFAOYSA-N |
| MDL Number | MFCD31657377 |
| Molecular Formula | C20H12F2N6 |
| Molecular Weight | 374.3463 |
| SMILES | FC(C4=CC=C3N=CC=CC3=C4)(F)C2=NN=C1C=CC(C5=CC=NC=C5)=NN12 |
| Synonyms | JNJ-38877618,
943540-74-7,
SCHEMBL2492511,
SB18875,
HY-111050,
CS-0034063,
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| Complexity | 543 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 374.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 374.355g/mol |
| Monoisotopic Mass | 374.109g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number