| CAS Number | 1332295-35-8 |
| Catalog Number | AG009CJB |
| Chemical Name | Nav1.7-IN-2 |
| IUPAC Name | 3-[[4-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]pyrimidin-2-yl]amino]-N-methylbenzamide |
| InChI | InChI=1S/C22H22FN5O2/c1-14-10-16(23)6-7-19(14)30-18-12-28(13-18)20-8-9-25-22(27-20)26-17-5-3-4-15(11-17)21(29)24-2/h3-11,18H,12-13H2,1-2H3,(H,24,29)(H,25,26,27) |
| InChI Key | MFAKJGXMORSMIX-UHFFFAOYSA-N |
| MDL Number | MFCD29472276 |
| Molecular Formula | C22H22FN5O2 |
| Molecular Weight | 407.4408 |
| SMILES | C(NC)(=O)C1=CC=CC(NC2=NC=CC(N3CC(OC4=CC=C(F)C=C4C)C3)=N2)=C1 |
| Synonyms | Nav1.7-IN-2,
1332295-35-8,
SCHEMBL2303803,
CHEMBL3944666,
BDBM229646,
BDBM229674,
ZINC72316400,
AKOS030526413,
CS-5221,
HY-19366,
US9334269, J,
US9334269, 1,
|
| Complexity | 576 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 407.176g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 407.449g/mol |
| Monoisotopic Mass | 407.176g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number