About (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(quinolin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
(5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(quinolin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (PubChem CID 161413491) has the molecular formula C171H178ClF4N29O15S6
and a molecular weight of 3183.34 g/mol. Its IUPAC name is (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(quinolin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione.
Frequently Asked Questions
What is the IUPAC name of (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(quinolin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(quinolin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (CID 161413491) is (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(quinolin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(quinolin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(quinolin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is Cc1ccc(CCCC2CCN(c3nccc(/C=C4\SC(=O)CC4=O)n3)CC2)nc1.Cc1ccc2cc(CCCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)ccc2c1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(F)cc4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccc(Cl)c4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccc5cccc(C(F)(F)F)c5n4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccc5ccccc5n4)CC3)n2)N1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc5c(c4)CCO5)CC3)n2)S1.
What is the InChIKey of (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(quinolin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The InChIKey is VVTWQYLJPNPQBF-OZFRRHCBSA-N. The full InChI is InChI=1S/C27H28N4O2S.C26H24F3N5O2S.C25H26N6O2.C24H26N4O3S.C23H24ClN3O2S.C23H24FN3O2S.C23H26N4O2S/c1-18-5-7-22-16-20(6-8-21(22)15-18)4-2-3-19-10-13-31(14-11-19)26-28-12-9-23(29-26)17-24-25(32)30-27(33)34-24;27-26(28,29)20-3-1-2-17-4-5-19(32-24(17)20)15-30-14-16-7-10-34(11-8-16)25-31-9-6-18(33-25)12-22-21(35)13-23(36)37-22;32-23-14-24(33)30-22(23)13-19-7-10-27-25(29-19)31-11-8-17(9-12-31)15-26-16-20-6-5-18-3-1-2-4-21(18)28-20;29-22-21(32-24(30)27-22)15-19-6-10-25-23(26-19)28-11-7-16(8-12-28)2-1-3-17-4-5-20-18(14-17)9-13-31-20;24-18-6-2-5-17(13-18)4-1-3-16-8-11-27(12-9-16)23-25-10-7-19(26-23)14-21-20(28)15-22(29)30-21;24-18-6-4-16(5-7-18)2-1-3-17-9-12-27(13-10-17)23-25-11-8-19(26-23)14-21-20(28)15-22(29)30-21;1-16-5-6-18(25-15-16)4-2-3-17-8-11-27(12-9-17)23-24-10-7-19(26-23)13-21-20(28)14-22(29)30-21/h5-9,12,15-17,19H,2-4,10-11,13-14H2,1H3,(H,30,32,33);1-6,9,12,16,30H,7-8,10-11,13-15H2;1-7,10,13,17,26H,8-9,11-12,14-16H2,(H,30,33);4-6,10,14-16H,1-3,7-9,11-13H2,(H,27,29,30);2,5-7,10,13-14,16H,1,3-4,8-9,11-12,15H2;4-8,11,14,17H,1-3,9-10,12-13,15H2;5-7,10,13,15,17H,2-4,8-9,11-12,14H2,1H3/b24-17-;22-12-;22-13-;21-15-;2*21-14-;21-13-.
What are the key properties of (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(quinolin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
(5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(quinolin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione has a molecular weight of 3183.34 g/mol, XLogP of 29.92, 42 rotatable bonds, 5 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methylnaphthalen-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(quinolin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]pyrrolidine-2,4-dione;(5Z)-5-[[2-[4-[[[8-(trifluoromethyl)quinolin-2-yl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is sourced from PubChem (CID 161413491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).