ZRT
Summary
| Name: | N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide |
| Synonyms: | lazertinib, bound form |
| Formula: | C30 H36 N8 O3 |
| Formal charge: | 0 |
| Formula weight: | 556.659 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[5-[[4-[4-[(dimethylamino)methyl]-3-phenyl-pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-yl-phenyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(C)Cc1cn(nc1c1ccccc1)c1nc(ncc1)Nc1cc(NC(=O)CC)c(cc1OC)N1CCOCC1 |
| InChI | InChI | 1.03 | InChI=1S/C30H36N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h6-12,17-18,20H,5,13-16,19H2,1-4H3,(H,32,39)(H,31,33,34) |
| InChIKey | InChI | 1.03 | JCMFJBUWEYTTAQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1cc(Nc2nccc(n2)n3cc(CN(C)C)c(n3)c4ccccc4)c(OC)cc1N5CCOCC5 |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1cc(Nc2nccc(n2)n3cc(CN(C)C)c(n3)c4ccccc4)c(OC)cc1N5CCOCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1cc(c(cc1N2CCOCC2)OC)Nc3nccc(n3)n4cc(c(n4)c5ccccc5)CN(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1cc(c(cc1N2CCOCC2)OC)Nc3nccc(n3)n4cc(c(n4)c5ccccc5)CN(C)C |
