9JL
Summary
| Name: | (4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile |
| Synonyms: | MRTX-2219 |
| Formula: | C26 H25 F N6 O |
| Formal charge: | 0 |
| Formula weight: | 456.515 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | 8-[4-[(dimethylamino)methyl]-2-methyl-phenyl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(C)Cc1ccc(c(C)c1)c1cnc(NCc2c(F)ccc3OCCc23)n2cc(C#N)nc12 |
| InChI | InChI | 1.03 | InChI=1S/C26H25FN6O/c1-16-10-17(14-32(2)3)4-5-19(16)22-13-30-26(33-15-18(11-28)31-25(22)33)29-12-21-20-8-9-34-24(20)7-6-23(21)27/h4-7,10,13,15H,8-9,12,14H2,1-3H3,(H,29,30) |
| InChIKey | InChI | 1.03 | FLCIOLFIDGTRCI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)Cc1ccc(c(C)c1)c2cnc(NCc3c(F)ccc4OCCc34)n5cc(nc25)C#N |
| SMILES | CACTVS | 3.385 | CN(C)Cc1ccc(c(C)c1)c2cnc(NCc3c(F)ccc4OCCc34)n5cc(nc25)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1c2cnc(n3c2nc(c3)C#N)NCc4c(ccc5c4CCO5)F)CN(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1c2cnc(n3c2nc(c3)C#N)NCc4c(ccc5c4CCO5)F)CN(C)C |
