A1L4C
Summary
| Name: | 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine |
| Formula: | C27 H30 N8 O |
| Formal charge: | 0 |
| Formula weight: | 482.58 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H30N8O/c1-2-35-17-24(26(32-35)20-4-3-10-28-16-20)25-9-11-29-27(31-25)30-21-5-7-22(8-6-21)33-12-14-34(15-13-33)23-18-36-19-23/h3-11,16-17,23H,2,12-15,18-19H2,1H3,(H,29,30,31) |
| InChIKey | InChI | 1.06 | WDBAIPMUEUJXOZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1cc(c2ccnc(Nc3ccc(cc3)N4CCN(CC4)C5COC5)n2)c(n1)c6cccnc6 |
| SMILES | CACTVS | 3.385 | CCn1cc(c2ccnc(Nc3ccc(cc3)N4CCN(CC4)C5COC5)n2)c(n1)c6cccnc6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCn1cc(c(n1)c2cccnc2)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C6COC6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCn1cc(c(n1)c2cccnc2)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C6COC6 |
