50E
Summary
| Name: | N-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine |
| Formula: | C17 H22 F3 N5 |
| Formal charge: | 0 |
| Formula weight: | 353.385 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.9.2 | N-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H22F3N5/c1-11(2)25-14(12-3-6-21-7-4-12)10-16(24-25)23-15-9-13(5-8-22-15)17(18,19)20/h5,8-12,21H,3-4,6-7H2,1-2H3,(H,22,23,24) |
| InChIKey | InChI | 1.03 | VBUUATKGJOATLP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)n1nc(Nc2cc(ccn2)C(F)(F)F)cc1C3CCNCC3 |
| SMILES | CACTVS | 3.385 | CC(C)n1nc(Nc2cc(ccn2)C(F)(F)F)cc1C3CCNCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)n1c(cc(n1)Nc2cc(ccn2)C(F)(F)F)C3CCNCC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)n1c(cc(n1)Nc2cc(ccn2)C(F)(F)F)C3CCNCC3 |
