C167H185F18N31O15S — CID 158512496
N-[6-[4-(benzylsulfamoyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-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;2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 158512496) has the molecular formula C167H185F18N31O15S and a molecular weight of 3240.55 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;2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-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;2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-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;2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-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;2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide |
|---|---|
| PubChem CID | 158512496 |
| Molecular Formula | C167H185F18N31O15S |
| Molecular Weight | 3240.55 g/mol |
| Exact Mass | 3238.41 |
| IUPAC Name | N-[6-[4-(benzylsulfamoyl)piperidin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(diethylamino)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-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;2-(3-phenylpiperidin-1-yl)-N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-(4-phenylpiperidin-1-yl)-3-pyridinyl]-2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide |
| SMILES | 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.CCN(CC)c1nc(C(F)(F)F)c(C(=O)Nc2ccc(N3CCC(c4ccccc4)CC3)nc2)o1.O=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCCC(c3ccccc3)C2)nc1C(F)(F)F.O=C(Nc1ccc(N2CCC(c3ccccc3)CC2)nc1)c1oc(N2CCCC2)nc1C(F)(F)F |
| InChI | InChI=1S/C32H32F3N5O2.C29H34F3N5O2.C28H33F3N6O4S.C28H32F3N5O3.C25H26F3N5O2.C25H28F3N5O2/c33-32(34,35)29-28(42-31(38-29)40-17-7-12-25(21-40)23-10-5-2-6-11-23)30(41)37-26-13-14-27(36-20-26)39-18-15-24(16-19-39)22-8-3-1-4-9-22;1-20-6-5-15-37(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;26-25(27,28)22-21(35-24(31-22)33-12-4-5-13-33)23(34)30-19-8-9-20(29-16-19)32-14-10-18(11-15-32)17-6-2-1-3-7-17;1-3-32(4-2)24-31-22(25(26,27)28)21(35-24)23(34)30-19-10-11-20(29-16-19)33-14-12-18(13-15-33)17-8-6-5-7-9-17/h1-6,8-11,13-14,20,24-25H,7,12,15-19,21H2,(H,37,41);2-4,7-8,11-12,18,20,22H,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);1-3,6-9,16,18H,4-5,10-15H2,(H,30,34);5-11,16,18H,3-4,12-15H2,1-2H3,(H,30,34) |
| InChIKey | HLFPKQJUWSYCLU-UHFFFAOYSA-N |
| XLogP | 34.86 |
| TPSA | 502.40 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 232 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3240.55 |
| LogP ≤ 5 | 34.86 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 39 |