A1BTK
Summary
| Name: | (3R)-3-{3-[(1,5-dimethyl-1H-indazol-4-yl)amino]-1H-pyrazol-1-yl}pyrrolidin-2-one |
| Formula: | C16 H18 N6 O |
| Formal charge: | 0 |
| Formula weight: | 310.354 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3R)-3-{3-[(1,5-dimethyl-1H-indazol-4-yl)amino]-1H-pyrazol-1-yl}pyrrolidin-2-one |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-3-[3-[(1,5-dimethylindazol-4-yl)amino]pyrazol-1-yl]pyrrolidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1ccc2n(C)ncc2c1Nc1ccn(n1)C1CCNC1=O |
| InChI | InChI | 1.06 | InChI=1S/C16H18N6O/c1-10-3-4-12-11(9-18-21(12)2)15(10)19-14-6-8-22(20-14)13-5-7-17-16(13)23/h3-4,6,8-9,13H,5,7H2,1-2H3,(H,17,23)(H,19,20) |
| InChIKey | InChI | 1.06 | IQCXYYIXAUMMTK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc2c(Nc3ccn(n3)[C@H]4CCNC4=O)c(C)ccc12 |
| SMILES | CACTVS | 3.385 | Cn1ncc2c(Nc3ccn(n3)[CH]4CCNC4=O)c(C)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc2c(c1Nc3ccn(n3)[C@H]4CCNC4=O)cnn2C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc2c(c1Nc3ccn(n3)C4CCNC4=O)cnn2C |
