| Catalog Number | ACM1693758518 |
| CAS | 1693758-51-8 |
| IUPAC Name | 2-amino-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Synonyms | IPI-549;1693758-51-8;IPI549;Eganelisib;UNII-FOF5155FMZ;FOF5155FMZ;CHEMBL3984425;(S)-2-amino-N-(1-(8-((1-methyl-1H-pyrazol-4-yl)ethynyl)-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)ethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-{8-[(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl}ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;Pyrazolo(1,5-a)pyrimidine-3-carboxamide, 2-amino-N-((1S)-1-(1,2-dihydro-8-(2-(1-methyl-1H-pyrazol-4-yl)ethynyl)-1-oxo-2-phenyl-3-isoquinolinyl)ethyl)-;Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 2-amino-N-[(1S)-1-[1,2-dihydro-8-[2-(1-methyl-1H-pyrazol-4-yl)ethynyl]-1-oxo-2-phenyl-3-isoquinolinyl]ethyl]-;Eganelisib [USAN];GTPL9563;pi3k-gamma Inhibitor IPI-549;SCHEMBL16629991;IPI 549;2-amino-N-[(1S)-1-[8-[2-(1-methylpyrazol-4-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;AMY16733;EX-A1057;V7Y;BDBM50192880;MFCD30533720;NSC795067;NSC801002;s8330;WHO 11571;ZINC584906867;ACN-051238;CCG-269905;CS-6106;NSC-795067;NSC-801002;compound 26 [PMID: 27660692];AC-29898;AS-55938;HY-100716;A16332;(S)-2-Amino-N-(1-(8-((1-methyl-1H-pyrazol-4-yl)ethynyl)-1-oxo-2-phenyl-1,2- dihydroisoquinolin-3-yl)ethyl)pyrazolo(1,5-a)pyrimidine-3-carboxamide;2-Amino-N-((1S)-1-(8-((1-methyl-1H-pyrazol-4-yl)ethynyl)-1-oxo-2-phenyl-1,2-dihydro-3-isoquinolinyl)ethyl)pyrazolo(1,5-a)pyrimidine-3-carboxamide;C[C@H](NC(=O)C1=C2N=CC=CN2N=C1N)C1=CC2=CC=CC(C#CC3=CN(C)N=C3)=C2C(=O)N1C1=CC=CC=C1 |
| Molecular Weight | 528.6g/mol |
| Molecular Formula | C30H24N8O2 |
| Canonical SMILES | CC(C1=CC2=C(C(=CC=C2)C#CC3=CN(N=C3)C)C(=O)N1C4=CC=CC=C4)NC(=O)C5=C6N=CC=CN6N=C5N |
| InChI | InChI=1S/C30H24N8O2/c1-19(34-29(39)26-27(31)35-37-15-7-14-32-28(26)37)24-16-22-9-6-8-21(13-12-20-17-33-36(2)18-20)25(22)30(40)38(24)23-10-4-3-5-11-23/h3-11,14-19H,1-2H3,(H2,31,35)(H,34,39)/t19-/m0/s1 |
| InChI Key | XUMALORDVCFWKV-IBGZPJMESA-N |
| Complexity | 1060 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 528.20222204g/mol |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 6 |
| Monoisotopic Mass | 528.20222204g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 123Ų |
| UNII | FOF5155FMZ |
| X Log P3 | 3.2 |