| CAS Number | 1365889-99-1 |
| Catalog Number | AG00123H(AGN-PC-0WAKN0) |
| Chemical Name | 1H-Indazole, 5-(2-cyclobutylethynyl)-3-fluoro-1-(tetrahydro-2H-pyran-2-yl)- |
| IUPAC Name | 5-(2-cyclobutylethynyl)-3-fluoro-1-(oxan-2-yl)indazole |
| InChI | InChI=1S/C18H19FN2O/c19-18-15-12-14(8-7-13-4-3-5-13)9-10-16(15)21(20-18)17-6-1-2-11-22-17/h9-10,12-13,17H,1-6,11H2 |
| InChI Key | OMMCXFAXAPVZLK-UHFFFAOYSA-N |
| MDL Number | MFCD28142746 |
| Molecular Formula | C18H19FN2O |
| Molecular Weight | 298.3547 |
| SMILES | C1(CCC1)C#CC=1C=C2C(=NN(C2=CC1)C1OCCCC1)F |
| Synonyms | 5-(cyclobutylethynyl)-3-fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole,
1365889-99-1,
SCHEMBL767589,
OMMCXFAXAPVZLK-UHFFFAOYSA-N,
KS-000000GC,
MFCD28142746,
AKOS027420910,
1H-Indazole, 5-(2-cyclobutylethynyl)-3-fluoro-1-(tetrahydro-2H-pyran-2-yl)-,
|
| Complexity | 466 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.361g/mol |
| Monoisotopic Mass | 298.148g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number