A1CH7
Summary
| Name: | N-methyl-N-phenyl-3-(pyridin-3-yl)-N~2~-{[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}-L-alaninamide |
| Formula: | C25 H26 F3 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 485.501 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-methyl-N-phenyl-3-(pyridin-3-yl)-N~2~-{[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}-L-alaninamide |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-~{N}-methyl-~{N}-phenyl-3-pyridin-3-yl-2-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethanoylamino]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN(c1ccccc1)C(=O)C(Cc1cccnc1)NC(=O)Cn1nc(c2CCCCc21)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C25H26F3N5O2/c1-32(18-9-3-2-4-10-18)24(35)20(14-17-8-7-13-29-15-17)30-22(34)16-33-21-12-6-5-11-19(21)23(31-33)25(26,27)28/h2-4,7-10,13,15,20H,5-6,11-12,14,16H2,1H3,(H,30,34)/t20-/m0/s1 |
| InChIKey | InChI | 1.06 | GYIHHZGKBJKUEO-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C(=O)[C@H](Cc1cccnc1)NC(=O)Cn2nc(c3CCCCc23)C(F)(F)F)c4ccccc4 |
| SMILES | CACTVS | 3.385 | CN(C(=O)[CH](Cc1cccnc1)NC(=O)Cn2nc(c3CCCCc23)C(F)(F)F)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CN(c1ccccc1)C(=O)[C@H](Cc2cccnc2)NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CN(c1ccccc1)C(=O)C(Cc2cccnc2)NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4 |
