5FK
Summary
| Name: | (5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Formula: | C22 H21 F4 N5 O |
| Formal charge: | 0 |
| Formula weight: | 447.429 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | (5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoranylpyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(CC(C(F)(F)F)n2c(N1)c(cn2)C(=O)NCc3ncc(cc3)F)c4ccc(cc4)CC |
| InChI | InChI | 1.03 | InChI=1S/C22H21F4N5O/c1-2-13-3-5-14(6-4-13)18-9-19(22(24,25)26)31-20(30-18)17(12-29-31)21(32)28-11-16-8-7-15(23)10-27-16/h3-8,10,12,18-19,30H,2,9,11H2,1H3,(H,28,32)/t18-,19+/m1/s1 |
| InChIKey | InChI | 1.03 | AURWIOYIXRLAMD-MOPGFXCFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccc(cc1)[C@H]2C[C@H](n3ncc(C(=O)NCc4ccc(F)cn4)c3N2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CCc1ccc(cc1)[CH]2C[CH](n3ncc(C(=O)NCc4ccc(F)cn4)c3N2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cn4)F)N2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCc1ccc(cc1)C2CC(n3c(c(cn3)C(=O)NCc4ccc(cn4)F)N2)C(F)(F)F |
