A1D54
Summary
| Name: | (2~{S})-1,1,1-tris(fluoranyl)-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1~{H}-imidazol-2-yl]propan-2-ol |
| Synonyms: | MK-5046 |
| Formula: | C20 H18 F6 N4 O |
| Formal charge: | 0 |
| Formula weight: | 444.374 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1,1,1-tris(fluoranyl)-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1~{H}-imidazol-2-yl]propan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1 |
| InChIKey | InChI | 1.06 | UJINBEQCDMOAHM-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@](Cc1[nH]c(CC2(CC2)C(F)(F)F)cn1)(c3ccc(cc3)n4cccn4)C(F)(F)F |
| SMILES | CACTVS | 3.385 | O[C](Cc1[nH]c(CC2(CC2)C(F)(F)F)cn1)(c3ccc(cc3)n4cccn4)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnn(c1)c2ccc(cc2)[C@@](Cc3[nH]c(cn3)CC4(CC4)C(F)(F)F)(C(F)(F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnn(c1)c2ccc(cc2)C(Cc3[nH]c(cn3)CC4(CC4)C(F)(F)F)(C(F)(F)F)O |
