YNB
Summary
| Name: | [2-methyl-4-(trifluoromethoxy)phenyl]methyl (8R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate |
| Formula: | C22 H22 F3 N7 O4 |
| Formal charge: | 0 |
| Formula weight: | 505.45 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [2-methyl-4-(trifluoromethoxy)phenyl]methyl (8R)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxylate |
| OpenEye OEToolkits | 2.0.7 | [2-methyl-4-(trifluoromethyloxy)phenyl]methyl 2-(1,4,6,7-tetrahydro-[1,2,3]triazolo[4,5-c]pyridin-5-ylcarbonyl)-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)(F)Oc1ccc(COC(=O)N2Cc3cc(nn3CC2)C(=O)N2CCc3[NH]nnc3C2)c(C)c1 |
| InChI | InChI | 1.06 | InChI=1S/C22H22F3N7O4/c1-13-8-16(36-22(23,24)25)3-2-14(13)12-35-21(34)31-6-7-32-15(10-31)9-18(28-32)20(33)30-5-4-17-19(11-30)27-29-26-17/h2-3,8-9H,4-7,10-12H2,1H3,(H,26,27,29) |
| InChIKey | InChI | 1.06 | ADUKTAWVTISOHD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(OC(F)(F)F)ccc1COC(=O)N2CCn3nc(cc3C2)C(=O)N4CCc5[nH]nnc5C4 |
| SMILES | CACTVS | 3.385 | Cc1cc(OC(F)(F)F)ccc1COC(=O)N2CCn3nc(cc3C2)C(=O)N4CCc5[nH]nnc5C4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1COC(=O)N2CCn3c(cc(n3)C(=O)N4CCc5c(nn[nH]5)C4)C2)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1COC(=O)N2CCn3c(cc(n3)C(=O)N4CCc5c(nn[nH]5)C4)C2)OC(F)(F)F |
