| CAS Number | 2079895-62-6 |
| Catalog Number | AG01EPMP(AGN-PC-3H4712) |
| Chemical Name | 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methyl-benzamide |
| IUPAC Name | 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide |
| InChI | InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25) |
| InChI Key | RPBMXJHQYJLPDN-UHFFFAOYSA-N |
| MDL Number | MFCD30536375 |
| Molecular Formula | C20H19N3O2 |
| Molecular Weight | 333.3838 |
| SMILES | O=C(C)C1=CC(C2=CC(C(NC3CC3)=O)=CC=C2C)=C4N=CC=CN41 |
| Synonyms | 3-(6-Acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide,
3-{6-acetylpyrrolo[1,2-a]pyrimidin-8-yl}-N-cyclopropyl-4-methylbenzamide,
GTPL9522,
CHEMBL4065619,
TP 472,
TP-472,
AKOS030210974,
ZINC585672941,
TP-472, >=98% (HPLC),
3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methyl-benzamide,
2079895-62-6,
|
| Complexity | 533 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.391g/mol |
| Monoisotopic Mass | 333.148g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number