9L0
Summary
| Name: | (4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile |
| Synonyms: | MRTX-1919 |
| Formula: | C21 H18 F N7 O |
| Formal charge: | 0 |
| Formula weight: | 403.412 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-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-(2,5-dimethylpyrazol-3-yl)-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 | Cc1cc(n(C)n1)c1cnc(NCc2c(F)ccc3OCCc23)n2cc(C#N)nc12 |
| InChI | InChI | 1.03 | InChI=1S/C21H18FN7O/c1-12-7-18(28(2)27-12)16-10-25-21(29-11-13(8-23)26-20(16)29)24-9-15-14-5-6-30-19(14)4-3-17(15)22/h3-4,7,10-11H,5-6,9H2,1-2H3,(H,24,25) |
| InChIKey | InChI | 1.03 | WUFADHRATSOXBZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)cc1c2cnc(NCc3c(F)ccc4OCCc34)n5cc(nc25)C#N |
| SMILES | CACTVS | 3.385 | Cn1nc(C)cc1c2cnc(NCc3c(F)ccc4OCCc34)n5cc(nc25)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(n(n1)C)c2cnc(n3c2nc(c3)C#N)NCc4c(ccc5c4CCO5)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(n(n1)C)c2cnc(n3c2nc(c3)C#N)NCc4c(ccc5c4CCO5)F |
