[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-N-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-[3-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
C126H139F24N25O10S — CID 157414135
Data last refreshed: (MolForge compound catalog, from PubChem)
About [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-N-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-[3-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone
[5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-N-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-[3-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone (PubChem CID 157414135) has the molecular formula C126H139F24N25O10S and a molecular weight of 2651.68 g/mol. Its IUPAC name is [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-N-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-[3-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone.
Molecular Properties
| Compound Name | [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-N-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-[3-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone |
|---|---|
| PubChem CID | 157414135 |
| Molecular Formula | C126H139F24N25O10S |
| Molecular Weight | 2651.68 g/mol |
| Exact Mass | 2650.05 |
| IUPAC Name | [5-(cyclopropylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-N-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide;1-[3-[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanone |
| SMILES | CC(=O)N1CCc2[nH]nc(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)c2C1.CCN1CCc2[nH]nc(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)c2C1.CN1CCc2[nH]nc(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)c2C1.CNC(=O)N1CCc2c(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)n[nH]c2C1.CS(=O)(=O)N1CCc2[nH]nc(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)c2C1.O=C(c1n[nH]c2c1CN(CC1CC1)CC2)N1CCC(c2cccc(F)c2C(F)(F)F)CC1 |
| InChI | InChI=1S/C23H26F4N4O.C21H23F4N5O2.C21H22F4N4O2.C21H24F4N4O.C20H22F4N4O3S.C20H22F4N4O/c24-18-3-1-2-16(20(18)23(25,26)27)15-6-10-31(11-7-15)22(32)21-17-13-30(12-14-4-5-14)9-8-19(17)28-29-21;1-26-20(32)30-10-7-14-16(11-30)27-28-18(14)19(31)29-8-5-12(6-9-29)13-3-2-4-15(22)17(13)21(23,24)25;1-12(30)29-10-7-17-15(11-29)19(27-26-17)20(31)28-8-5-13(6-9-28)14-3-2-4-16(22)18(14)21(23,24)25;1-2-28-9-8-17-15(12-28)19(27-26-17)20(30)29-10-6-13(7-11-29)14-4-3-5-16(22)18(14)21(23,24)25;1-32(30,31)28-10-7-16-14(11-28)18(26-25-16)19(29)27-8-5-12(6-9-27)13-3-2-4-15(21)17(13)20(22,23)24;1-27-8-7-16-14(11-27)18(26-25-16)19(29)28-9-5-12(6-10-28)13-3-2-4-15(21)17(13)20(22,23)24/h1-3,14-15H,4-13H2,(H,28,29);2-4,12H,5-11H2,1H3,(H,26,32)(H,27,28);2-4,13H,5-11H2,1H3,(H,26,27);3-5,13H,2,6-12H2,1H3,(H,26,27);2-4,12H,5-11H2,1H3,(H,25,26);2-4,12H,5-11H2,1H3,(H,25,26) |
| InChIKey | BOQHJLLKJHNNJN-UHFFFAOYSA-N |
| XLogP | 21.58 |
| TPSA | 393.69 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 186 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2651.68 |
| LogP ≤ 5 | 21.58 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 19 |
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Sources
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