(5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
C161H166F25N31O10 — CID 158873341
Data last refreshed: (MolForge compound catalog, from PubChem)
About (5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
(5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 158873341) has the molecular formula C161H166F25N31O10 and a molecular weight of 3170.26 g/mol. Its IUPAC name is (5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
Molecular Properties
| Compound Name | (5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone |
|---|---|
| PubChem CID | 158873341 |
| Molecular Formula | C161H166F25N31O10 |
| Molecular Weight | 3170.26 g/mol |
| Exact Mass | 3168.30 |
| IUPAC Name | (5-cyclobutyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(5-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone |
| SMILES | CCCN1CCc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2C1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2c1CCOC2.O=C(c1n[nH]c2c1CN(C1CCC1)C2)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2ccc(F)cn12)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1nnc2n1CCOC2)N1CCC(c2ccccc2C(F)(F)F)CC1 |
| InChI | InChI=1S/C22H25F3N4O.C22H27F3N4O.3C20H19F3N4O.C20H22F3N3O2.C19H16F4N4O.C18H19F3N4O2/c23-22(24,25)18-7-2-1-6-16(18)14-8-10-28(11-9-14)21(30)20-17-12-29(15-4-3-5-15)13-19(17)26-27-20;1-2-10-28-11-9-19-17(14-28)20(27-26-19)21(30)29-12-7-15(8-13-29)16-5-3-4-6-18(16)22(23,24)25;3*1-13-6-7-17-24-25-18(27(17)12-13)19(28)26-10-8-14(9-11-26)15-4-2-3-5-16(15)20(21,22)23;1-25-17-8-11-28-12-15(17)18(24-25)19(27)26-9-6-13(7-10-26)14-4-2-3-5-16(14)20(21,22)23;20-13-5-6-16-24-25-17(27(16)11-13)18(28)26-9-7-12(8-10-26)14-3-1-2-4-15(14)19(21,22)23;19-18(20,21)14-4-2-1-3-13(14)12-5-7-24(8-6-12)17(26)16-23-22-15-11-27-10-9-25(15)16/h1-2,6-7,14-15H,3-5,8-13H2,(H,26,27);3-6,15H,2,7-14H2,1H3,(H,26,27);3*2-7,12,14H,8-11H2,1H3;2-5,13H,6-12H2,1H3;1-6,11-12H,7-10H2;1-4,12H,5-11H2 |
| InChIKey | JCCTWLZCRZXMGV-UHFFFAOYSA-N |
| XLogP | 31.05 |
| TPSA | 414.07 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 227 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3170.26 |
| LogP ≤ 5 | 31.05 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 31 |
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Sources
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