1QN
Summary
| Name: | 1-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}-N-methylmethanamine |
| Formula: | C17 H17 F N4 |
| Formal charge: | 0 |
| Formula weight: | 296.342 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}-N-methylmethanamine |
| OpenEye OEToolkits | 1.7.6 | 1-[4-[3-(4-fluorophenyl)-1-methyl-pyrazol-4-yl]pyridin-2-yl]-N-methyl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc3ccc(c1nn(cc1c2ccnc(c2)CNC)C)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H17FN4/c1-19-10-15-9-13(7-8-20-15)16-11-22(2)21-17(16)12-3-5-14(18)6-4-12/h3-9,11,19H,10H2,1-2H3 |
| InChIKey | InChI | 1.03 | UEPOHWWKVBWCFV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CNCc1cc(ccn1)c2cn(C)nc2c3ccc(F)cc3 |
| SMILES | CACTVS | 3.370 | CNCc1cc(ccn1)c2cn(C)nc2c3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNCc1cc(ccn1)c2cn(nc2c3ccc(cc3)F)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNCc1cc(ccn1)c2cn(nc2c3ccc(cc3)F)C |
