C149H196F2N42O24S11 — CID 157132252
4-[2-[4-(1,1-difluoroethyl)phenyl]sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(4-ethynylphenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-(2-pyrazolo[1,5-a]pyridin-5-ylsulfonylpropan-2-yl)-N-pyridazin-4-ylpiperidine-1-carboxamide;4-(2-pyrazolo[1,5-a]pyridin-6-ylsulfonylpropan-2-yl)-N-pyridazin-4-ylpiperidine-1-carboxamide (PubChem CID 157132252) has the molecular formula C149H196F2N42O24S11 and a molecular weight of 3350.21 g/mol. Its IUPAC name is 4-[2-[4-(1,1-difluoroethyl)phenyl]sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(4-ethynylphenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-(2-pyrazolo[1,5-a]pyridin-5-ylsulfonylpropan-2-yl)-N-pyridazin-4-ylpiperidine-1-carboxamide;4-(2-pyrazolo[1,5-a]pyridin-6-ylsulfonylpropan-2-yl)-N-pyridazin-4-ylpiperidine-1-carboxamide.
| Compound Name | 4-[2-[4-(1,1-difluoroethyl)phenyl]sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(4-ethynylphenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-(2-pyrazolo[1,5-a]pyridin-5-ylsulfonylpropan-2-yl)-N-pyridazin-4-ylpiperidine-1-carboxamide;4-(2-pyrazolo[1,5-a]pyridin-6-ylsulfonylpropan-2-yl)-N-pyridazin-4-ylpiperidine-1-carboxamide |
|---|---|
| PubChem CID | 157132252 |
| Molecular Formula | C149H196F2N42O24S11 |
| Molecular Weight | 3350.21 g/mol |
| Exact Mass | 3347.23 |
| IUPAC Name | 4-[2-[4-(1,1-difluoroethyl)phenyl]sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-pyridin-4-ylpiperidine-1-carboxamide;4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(4-ethynylphenyl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide;4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;4-(2-pyrazolo[1,5-a]pyridin-5-ylsulfonylpropan-2-yl)-N-pyridazin-4-ylpiperidine-1-carboxamide;4-(2-pyrazolo[1,5-a]pyridin-6-ylsulfonylpropan-2-yl)-N-pyridazin-4-ylpiperidine-1-carboxamide |
| SMILES | C#Cc1ccc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3cnns3)CC2)cc1.CC(C)(C1CCN(C(=O)Nc2ccnnc2)CC1)S(=O)(=O)c1ccc2ccnn2c1.CC(C)(C1CCN(C(=O)Nc2ccnnc2)CC1)S(=O)(=O)c1ccn2nccc2c1.CC(F)(F)c1ccc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3cnns3)CC2)cc1.Cc1cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3ccncc3)CC2)n(C)n1.Cc1cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3ccnnc3)CC2)n(C)n1.Cc1cc(S(=O)(=O)C(C)(C)C2CCN(C(=O)Nc3cnns3)CC2)n(C)n1.Cn1cccc1S(=O)(=O)C(C)(C)C1CCN(C(=O)Nc2ccnnc2)CC1 |
| InChI | InChI=1S/2C20H24N6O3S.C19H24F2N4O3S2.C19H27N5O3S.C19H22N4O3S2.C18H26N6O3S.C18H25N5O3S.C16H24N6O3S2/c1-20(2,30(28,29)18-7-12-26-17(13-18)4-9-23-26)15-5-10-25(11-6-15)19(27)24-16-3-8-21-22-14-16;1-20(2,30(28,29)18-4-3-17-6-10-23-26(17)14-18)15-7-11-25(12-8-15)19(27)24-16-5-9-21-22-13-16;1-18(2,30(27,28)15-6-4-14(5-7-15)19(3,20)21)13-8-10-25(11-9-13)17(26)23-16-12-22-24-29-16;1-14-13-17(23(4)22-14)28(26,27)19(2,3)15-7-11-24(12-8-15)18(25)21-16-5-9-20-10-6-16;1-4-14-5-7-16(8-6-14)28(25,26)19(2,3)15-9-11-23(12-10-15)18(24)21-17-13-20-22-27-17;1-13-11-16(23(4)22-13)28(26,27)18(2,3)14-6-9-24(10-7-14)17(25)21-15-5-8-19-20-12-15;1-18(2,27(25,26)16-5-4-10-22(16)3)14-7-11-23(12-8-14)17(24)21-15-6-9-19-20-13-15;1-11-9-14(21(4)19-11)27(24,25)16(2,3)12-5-7-22(8-6-12)15(23)18-13-10-17-20-26-13/h3-4,7-9,12-15H,5-6,10-11H2,1-2H3,(H,21,24,27);3-6,9-10,13-15H,7-8,11-12H2,1-2H3,(H,21,24,27);4-7,12-13H,8-11H2,1-3H3,(H,23,26);5-6,9-10,13,15H,7-8,11-12H2,1-4H3,(H,20,21,25);1,5-8,13,15H,9-12H2,2-3H3,(H,21,24);5,8,11-12,14H,6-7,9-10H2,1-4H3,(H,19,21,25);4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,19,21,24);9-10,12H,5-8H2,1-4H3,(H,18,23) |
| InChIKey | AJFBJCMCUOKAOV-UHFFFAOYSA-N |
| XLogP | 21.43 |
| TPSA | 818.18 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 228 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3350.21 |
| LogP ≤ 5 | 21.43 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 53 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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