| CAS Number | 890129-26-7 |
| Catalog Number | AG01EOPX(AGN-PC-0WOJYM) |
| Chemical Name | BGG463 |
| IUPAC Name | 6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide |
| InChI | InChI=1S/C30H29F3N6O3/c1-19(40)36-27-16-28(35-18-34-27)42-23-8-9-24-20(14-23)4-3-5-25(24)29(41)37-22-7-6-21(26(15-22)30(31,32)33)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,37,41)(H,34,35,36,40) |
| InChI Key | MZZJNOOADWVFPD-UHFFFAOYSA-N |
| MDL Number | MFCD31618015 |
| Molecular Formula | C30H29F3N6O3 |
| Molecular Weight | 578.5849 |
| SMILES | C1(C(NC2=CC=C(CN3CCN(C)CC3)C(C(F)(F)F)=C2)=O)=C2C(C=C(OC3C=C(NC(C)=O)N=CN=3)C=C2)=CC=C1 |
| Synonyms | BGG463,
890129-26-7,
SCHEMBL2434456,
BDBM154577,
BCP25389,
EX-A2512,
HY-100600,
CS-0019751,
K 0859,
K 03859,
K03859 (2),
6-((6-acetamidopyrimidin-4-yl)oxy)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-1-naphthamide,
|
| Complexity | 917 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 578.225g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 578.596g/mol |
| Monoisotopic Mass | 578.225g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 99.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number