| Catalog Number | ACM1703793343 |
| CAS | 1703793-34-3 |
| IUPAC Name | (1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine |
| Synonyms | Avapritinib;BLU-285;1703793-34-3;BLU285;UNII-513P80B4YJ;513P80B4YJ;(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine;(S)-1-(4-Fluorophenyl)-1-(2-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl)pyrimidin-5-yl)ethan-1-amine;Avapritinib (BLU-285);Ayvakit;Ayvakyt;MFCD31544325;Avapritinib [INN];Ayvakit (TN);Avapritinib (USAN/INN);BLU-285 (Avapritinib);CHEMBL4204794;SCHEMBL16652297;GTPL10368;AMY16753;EX-A1366;NSC801082;s8553;ACN-051245;CCG-269677;CS-7577;DB15233;NSC-801082;AC-31598;BS-16206;HY-101561;AK00739613;C-366;70C366;D11279;X720776;X-720776;Q29213676;(1S)-1-(4-Fluorophenyl)-1-(2-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrrolo(2,1-f)(1,2,4)triazin-4-yl)-1-piperazinyl)-5-pyrimidinyl)ethanamine;(S)-1-(4-fluorophenyl)-1-(2-(4-(6-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)piperazin-1-yl)pyrimidin-5-yl)ethanamine |
| Molecular Weight | 498.6g/mol |
| Molecular Formula | C26H27FN10 |
| Canonical SMILES | CC(C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)C)N |
| InChI | InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1 |
| InChI Key | DWYRIWUZIJHQKQ-SANMLTNESA-N |
| Complexity | 752 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 498.24041907g/mol |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 9 |
| Monoisotopic Mass | 498.24041907g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 106Ų |
| UNII | 513P80B4YJ |
| X Log P3 | 1.9 |