(5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-1-methylindole-5-sulfonamide;5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methyl]thiolane-2,4-dione;(5Z)-5-[[2-[4-(methylaminomethyl)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-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione

C138H153ClFN25O14S7 — CID 157134226

About (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-1-methylindole-5-sulfonamide;5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methyl]thiolane-2,4-dione;(5Z)-5-[[2-[4-(methylaminomethyl)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-pyrrolidin-2-yl-2-pyridinyl)propyl]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;N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-1-methylindole-5-sulfonamide;5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methyl]thiolane-2,4-dione;(5Z)-5-[[2-[4-(methylaminomethyl)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-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (PubChem CID 157134226) has the molecular formula C138H153ClFN25O14S7 and a molecular weight of 2664.82 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;N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-1-methylindole-5-sulfonamide;5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methyl]thiolane-2,4-dione;(5Z)-5-[[2-[4-(methylaminomethyl)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-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-1-methylindole-5-sulfonamide;5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methyl]thiolane-2,4-dione;(5Z)-5-[[2-[4-(methylaminomethyl)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-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
• PubChem CID: 157134226
• Molecular Formula: C138H153ClFN25O14S7
• Molecular Weight: 2664.82 g/mol
• Exact Mass: 2661.97
• IUPAC Name: (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-1-methylindole-5-sulfonamide;5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methyl]thiolane-2,4-dione;(5Z)-5-[[2-[4-(methylaminomethyl)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-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
• SMILES: CNCC1CCN(c2nccc(/C=C3\SC(=O)CC3=O)n2)CC1.Cc1ccc2cc(CCCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)ccc2c1.Cn1ccc2cc(S(=O)(=O)NCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)ccc21.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(C5CCCN5)cn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccc(Cl)c4)CC3)n2)S1.O=C1CC(=O)C(Cc2ccnc(N3CCC(CCCc4ccc(F)cc4)CC3)n2)S1
• InChI: InChI=1S/C27H28N4O2S.C26H31N5O2S.C23H24ClN3O2S.C23H26FN3O2S.C23H24N6O4S2.C16H20N4O2S/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;32-23-16-25(33)34-24(23)15-21-8-12-28-26(30-21)31-13-9-18(10-14-31)3-1-4-20-7-6-19(17-29-20)22-5-2-11-27-22;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;1-28-9-7-16-12-18(2-3-19(16)28)35(32,33)25-14-15-5-10-29(11-6-15)22-24-8-4-17(26-22)13-20-21(30)27-23(31)34-20;1-17-10-11-3-6-20(7-4-11)16-18-5-2-12(19-16)8-14-13(21)9-15(22)23-14/h5-9,12,15-17,19H,2-4,10-11,13-14H2,1H3,(H,30,32,33);6-8,12,15,17-18,22,27H,1-5,9-11,13-14,16H2;2,5-7,10,13-14,16H,1,3-4,8-9,11-12,15H2;4-8,11,17,21H,1-3,9-10,12-15H2;2-4,7-9,12-13,15,25H,5-6,10-11,14H2,1H3,(H,27,30,31);2,5,8,11,17H,3-4,6-7,9-10H2,1H3/b24-17-;24-15-;21-14-;;20-13-;14-8-
• InChIKey: AJKXFKCMMWOSEO-HQAOZMALSA-N
• XLogP: 22.52
• TPSA: 491.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 36
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2664.82
LogP ≤ 5	22.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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;N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-1-methylindole-5-sulfonamide;5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methyl]thiolane-2,4-dione;(5Z)-5-[[2-[4-(methylaminomethyl)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-pyrrolidin-2-yl-2-pyridinyl)propyl]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;N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-1-methylindole-5-sulfonamide;5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methyl]thiolane-2,4-dione;(5Z)-5-[[2-[4-(methylaminomethyl)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-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (CID 157134226) is (5Z)-5-[[2-[4-[3-(3-chlorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-1-methylindole-5-sulfonamide;5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methyl]thiolane-2,4-dione;(5Z)-5-[[2-[4-(methylaminomethyl)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-pyrrolidin-2-yl-2-pyridinyl)propyl]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;N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-1-methylindole-5-sulfonamide;5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methyl]thiolane-2,4-dione;(5Z)-5-[[2-[4-(methylaminomethyl)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-pyrrolidin-2-yl-2-pyridinyl)propyl]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;N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-1-methylindole-5-sulfonamide;5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methyl]thiolane-2,4-dione;(5Z)-5-[[2-[4-(methylaminomethyl)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-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is CNCC1CCN(c2nccc(/C=C3\SC(=O)CC3=O)n2)CC1.Cc1ccc2cc(CCCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)ccc2c1.Cn1ccc2cc(S(=O)(=O)NCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)ccc21.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(C5CCCN5)cn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccc(Cl)c4)CC3)n2)S1.O=C1CC(=O)C(Cc2ccnc(N3CCC(CCCc4ccc(F)cc4)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;N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-1-methylindole-5-sulfonamide;5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methyl]thiolane-2,4-dione;(5Z)-5-[[2-[4-(methylaminomethyl)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-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?

The InChIKey is AJKXFKCMMWOSEO-HQAOZMALSA-N. The full InChI is InChI=1S/C27H28N4O2S.C26H31N5O2S.C23H24ClN3O2S.C23H26FN3O2S.C23H24N6O4S2.C16H20N4O2S/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;32-23-16-25(33)34-24(23)15-21-8-12-28-26(30-21)31-13-9-18(10-14-31)3-1-4-20-7-6-19(17-29-20)22-5-2-11-27-22;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;1-28-9-7-16-12-18(2-3-19(16)28)35(32,33)25-14-15-5-10-29(11-6-15)22-24-8-4-17(26-22)13-20-21(30)27-23(31)34-20;1-17-10-11-3-6-20(7-4-11)16-18-5-2-12(19-16)8-14-13(21)9-15(22)23-14/h5-9,12,15-17,19H,2-4,10-11,13-14H2,1H3,(H,30,32,33);6-8,12,15,17-18,22,27H,1-5,9-11,13-14,16H2;2,5-7,10,13-14,16H,1,3-4,8-9,11-12,15H2;4-8,11,17,21H,1-3,9-10,12-15H2;2-4,7-9,12-13,15,25H,5-6,10-11,14H2,1H3,(H,27,30,31);2,5,8,11,17H,3-4,6-7,9-10H2,1H3/b24-17-;24-15-;21-14-;;20-13-;14-8-.

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;N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-1-methylindole-5-sulfonamide;5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methyl]thiolane-2,4-dione;(5Z)-5-[[2-[4-(methylaminomethyl)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-pyrrolidin-2-yl-2-pyridinyl)propyl]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;N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-1-methylindole-5-sulfonamide;5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methyl]thiolane-2,4-dione;(5Z)-5-[[2-[4-(methylaminomethyl)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-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione has a molecular weight of 2664.82 g/mol, XLogP of 22.52, 36 rotatable bonds, 5 hydrogen bond donors, and 42 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;N-[[1-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]pyrimidin-2-yl]piperidin-4-yl]methyl]-1-methylindole-5-sulfonamide;5-[[2-[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methyl]thiolane-2,4-dione;(5Z)-5-[[2-[4-(methylaminomethyl)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-pyrrolidin-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is sourced from PubChem (CID 157134226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).