C137H160F15N27O16S — CID 159037695
N-[6-[4-(benzylsulfamoyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;cyclopentyl 4-[5-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate;N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 159037695) has the molecular formula C137H160F15N27O16S and a molecular weight of 2758.00 g/mol. Its IUPAC name is N-[6-[4-(benzylsulfamoyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;cyclopentyl 4-[5-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate;N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
| Compound Name | N-[6-[4-(benzylsulfamoyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;cyclopentyl 4-[5-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate;N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide |
|---|---|
| PubChem CID | 159037695 |
| Molecular Formula | C137H160F15N27O16S |
| Molecular Weight | 2758.00 g/mol |
| Exact Mass | 2756.20 |
| IUPAC Name | N-[6-[4-(benzylsulfamoyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;cyclopentyl 4-[5-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate;N-[6-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-(4-phenylmethoxypiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide |
| SMILES | CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(C(O)c5ccccc5)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(CCc5ccccc5)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(OCc5ccccc5)CC4)nc3)o2)C1.CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(S(=O)(=O)NCc5ccccc5)CC4)nc3)o2)C1.O=C(Nc1ccc(N2CCN(C(=O)OC3CCCC3)CC2)nc1)c1oc(N2CCCC2)nc1C(F)(F)F |
| InChI | InChI=1S/C29H34F3N5O2.C28H33F3N6O4S.2C28H32F3N5O3.C24H29F3N6O4/c1-20-6-5-15-37(19-20)28-35-26(29(30,31)32)25(39-28)27(38)34-23-11-12-24(33-18-23)36-16-13-22(14-17-36)10-9-21-7-3-2-4-8-21;1-19-6-5-13-37(18-19)27-35-25(28(29,30)31)24(41-27)26(38)34-21-9-10-23(32-17-21)36-14-11-22(12-15-36)42(39,40)33-16-20-7-3-2-4-8-20;1-19-6-5-13-36(17-19)27-34-25(28(29,30)31)24(39-27)26(37)33-21-9-10-23(32-16-21)35-14-11-22(12-15-35)38-18-20-7-3-2-4-8-20;1-18-6-5-13-36(17-18)27-34-25(28(29,30)31)24(39-27)26(38)33-21-9-10-22(32-16-21)35-14-11-20(12-15-35)23(37)19-7-3-2-4-8-19;25-24(26,27)20-19(37-22(30-20)32-9-3-4-10-32)21(34)29-16-7-8-18(28-15-16)31-11-13-33(14-12-31)23(35)36-17-5-1-2-6-17/h2-4,7-8,11-12,18,20,22H,5-6,9-10,13-17,19H2,1H3,(H,34,38);2-4,7-10,17,19,22,33H,5-6,11-16,18H2,1H3,(H,34,38);2-4,7-10,16,19,22H,5-6,11-15,17-18H2,1H3,(H,33,37);2-4,7-10,16,18,20,23,37H,5-6,11-15,17H2,1H3,(H,33,38);7-8,15,17H,1-6,9-14H2,(H,29,34) |
| InChIKey | JVQUOCUCEWMYAK-UHFFFAOYSA-N |
| XLogP | 26.52 |
| TPSA | 477.67 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 196 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2758.00 |
| LogP ≤ 5 | 26.52 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 36 |