| CAS Number | 1436383-95-7 |
| Catalog Number | AG01EO97(AGN-PC-3H4I6L) |
| Chemical Name | BF738735 |
| IUPAC Name | 2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol |
| InChI | InChI=1S/C21H19FN4O3S/c1-13-19(15-6-7-18(27)17(22)11-15)26-9-8-23-20(21(26)25-13)24-12-14-4-3-5-16(10-14)30(2,28)29/h3-11,27H,12H2,1-2H3,(H,23,24) |
| InChI Key | IMHZCCZYPHJVMS-UHFFFAOYSA-N |
| MDL Number | MFCD31619316 |
| Molecular Formula | C21H19FN4O3S |
| Molecular Weight | 426.4640 |
| SMILES | Fc1cc(ccc1O)c1c(C)nc2n1ccnc2NCc1cccc(c1)S(=O)(=O)C |
| Synonyms | BF738735,
1436383-95-7,
2-fluoro-4-(2-methyl-8-((3-(methylsulfonyl)benzyl)amino)imidazo[1,2-a]pyrazin-3-yl)phenol,
CHEMBL2407818,
HY-U00426,
CS-0035356,
PI4KIII|A-IN-1,
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| Complexity | 690 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 426.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 426.466g/mol |
| Monoisotopic Mass | 426.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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