(5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione

C190H204F8N38O15S8 — CID 157321753

IUPAC(5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
SMILESC=c1[nH]c(=O)/c(=C/c2ccnc(N3CCC(CNCc4cc(C)nc5ccccc45)CC3)n2)s1.C=c1[nH]c(=O)/c(=C/c2ccnc(N3CCC(CNCc4nccc5ccccc45)CC3)n2)s1.COc1cccc(CCCC2CCN(c3nccc(/C=C4\SC(=O)CC4=O)n3)CC2)n1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(C(F)(F)F)cn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccc(F)n4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cnc(N5CCCCC5)nc4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ncccc4C(F)(F)F)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ncccc4F)CC3)n2)S1
InChIInChI=1S/C26H32N6O2S.C26H28N6OS.C25H26N6OS.2C23H23F3N4O2S.C23H26N4O3S.2C22H23FN4O2S/c33-22-16-24(34)35-23(22)15-21-7-10-27-26(30-21)32-13-8-19(9-14-32)5-4-6-20-17-28-25(29-18-20)31-11-2-1-3-12-31;1-17-13-20(22-5-3-4-6-23(22)29-17)16-27-15-19-8-11-32(12-9-19)26-28-10-7-21(31-26)14-24-25(33)30-18(2)34-24;1-17-29-24(32)23(33-17)14-20-7-11-28-25(30-20)31-12-8-18(9-13-31)15-26-16-22-21-5-3-2-4-19(21)6-10-27-22;24-23(25,26)17-4-2-9-27-18(17)5-1-3-15-7-11-30(12-8-15)22-28-10-6-16(29-22)13-20-19(31)14-21(32)33-20;24-23(25,26)16-4-5-17(28-14-16)3-1-2-15-7-10-30(11-8-15)22-27-9-6-18(29-22)12-20-19(31)13-21(32)33-20;1-30-21-7-3-6-17(25-21)5-2-4-16-9-12-27(13-10-16)23-24-11-8-18(26-23)14-20-19(28)15-22(29)31-20;23-17-4-2-9-24-18(17)5-1-3-15-7-11-27(12-8-15)22-25-10-6-16(26-22)13-20-19(28)14-21(29)30-20;23-20-6-2-5-16(25-20)4-1-3-15-8-11-27(12-9-15)22-24-10-7-17(26-22)13-19-18(28)14-21(29)30-19/h7,10,15,17-19H,1-6,8-9,11-14,16H2;3-7,10,13-14,19,27H,2,8-9,11-12,15-16H2,1H3,(H,30,33);2-7,10-11,14,18,26H,1,8-9,12-13,15-16H2,(H,29,32);2,4,6,9-10,13,15H,1,3,5,7-8,11-12,14H2;4-6,9,12,14-15H,1-3,7-8,10-11,13H2;3,6-8,11,14,16H,2,4-5,9-10,12-13,15H2,1H3;2,4,6,9-10,13,15H,1,3,5,7-8,11-12,14H2;2,5-7,10,13,15H,1,3-4,8-9,11-12,14H2/b23-15-;24-14-;23-14-;20-13-;20-12-;20-14-;20-13-;19-13-
InChIKeyBEGBAQATNZYCGX-SXGXMSGESA-N
MW3668.49 g/mol
LogP29.16
Rot. Bonds50

About (5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione

(5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (PubChem CID 157321753) has the molecular formula C190H204F8N38O15S8 and a molecular weight of 3668.49 g/mol. Its IUPAC name is (5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
PubChem CID157321753
Molecular FormulaC190H204F8N38O15S8
Molecular Weight3668.49 g/mol
Exact Mass3665.40
IUPAC Name(5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
SMILESC=c1[nH]c(=O)/c(=C/c2ccnc(N3CCC(CNCc4cc(C)nc5ccccc45)CC3)n2)s1.C=c1[nH]c(=O)/c(=C/c2ccnc(N3CCC(CNCc4nccc5ccccc45)CC3)n2)s1.COc1cccc(CCCC2CCN(c3nccc(/C=C4\SC(=O)CC4=O)n3)CC2)n1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(C(F)(F)F)cn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccc(F)n4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cnc(N5CCCCC5)nc4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ncccc4C(F)(F)F)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ncccc4F)CC3)n2)S1
InChIInChI=1S/C26H32N6O2S.C26H28N6OS.C25H26N6OS.2C23H23F3N4O2S.C23H26N4O3S.2C22H23FN4O2S/c33-22-16-24(34)35-23(22)15-21-7-10-27-26(30-21)32-13-8-19(9-14-32)5-4-6-20-17-28-25(29-18-20)31-11-2-1-3-12-31;1-17-13-20(22-5-3-4-6-23(22)29-17)16-27-15-19-8-11-32(12-9-19)26-28-10-7-21(31-26)14-24-25(33)30-18(2)34-24;1-17-29-24(32)23(33-17)14-20-7-11-28-25(30-20)31-12-8-18(9-13-31)15-26-16-22-21-5-3-2-4-19(21)6-10-27-22;24-23(25,26)17-4-2-9-27-18(17)5-1-3-15-7-11-30(12-8-15)22-28-10-6-16(29-22)13-20-19(31)14-21(32)33-20;24-23(25,26)16-4-5-17(28-14-16)3-1-2-15-7-10-30(11-8-15)22-27-9-6-18(29-22)12-20-19(31)13-21(32)33-20;1-30-21-7-3-6-17(25-21)5-2-4-16-9-12-27(13-10-16)23-24-11-8-18(26-23)14-20-19(28)15-22(29)31-20;23-17-4-2-9-24-18(17)5-1-3-15-7-11-27(12-8-15)22-25-10-6-16(26-22)13-20-19(28)14-21(29)30-20;23-20-6-2-5-16(25-20)4-1-3-15-8-11-27(12-9-15)22-24-10-7-17(26-22)13-19-18(28)14-21(29)30-19/h7,10,15,17-19H,1-6,8-9,11-14,16H2;3-7,10,13-14,19,27H,2,8-9,11-12,15-16H2,1H3,(H,30,33);2-7,10-11,14,18,26H,1,8-9,12-13,15-16H2,(H,29,32);2,4,6,9-10,13,15H,1,3,5,7-8,11-12,14H2;4-6,9,12,14-15H,1-3,7-8,10-11,13H2;3,6-8,11,14,16H,2,4-5,9-10,12-13,15H2,1H3;2,4,6,9-10,13,15H,1,3,5,7-8,11-12,14H2;2,5-7,10,13,15H,1,3-4,8-9,11-12,14H2/b23-15-;24-14-;23-14-;20-13-;20-12-;20-14-;20-13-;19-13-
InChIKeyBEGBAQATNZYCGX-SXGXMSGESA-N
XLogP29.16
TPSA655.26 Ų
H-Bond Donors4
H-Bond Acceptors59
Rotatable Bonds50
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003668.49
LogP ≤ 529.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (CID 157321753) is (5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-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-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is C=c1[nH]c(=O)/c(=C/c2ccnc(N3CCC(CNCc4cc(C)nc5ccccc45)CC3)n2)s1.C=c1[nH]c(=O)/c(=C/c2ccnc(N3CCC(CNCc4nccc5ccccc45)CC3)n2)s1.COc1cccc(CCCC2CCN(c3nccc(/C=C4\SC(=O)CC4=O)n3)CC2)n1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(C(F)(F)F)cn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccc(F)n4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cnc(N5CCCCC5)nc4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ncccc4C(F)(F)F)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ncccc4F)CC3)n2)S1.
What is the InChIKey of (5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The InChIKey is BEGBAQATNZYCGX-SXGXMSGESA-N. The full InChI is InChI=1S/C26H32N6O2S.C26H28N6OS.C25H26N6OS.2C23H23F3N4O2S.C23H26N4O3S.2C22H23FN4O2S/c33-22-16-24(34)35-23(22)15-21-7-10-27-26(30-21)32-13-8-19(9-14-32)5-4-6-20-17-28-25(29-18-20)31-11-2-1-3-12-31;1-17-13-20(22-5-3-4-6-23(22)29-17)16-27-15-19-8-11-32(12-9-19)26-28-10-7-21(31-26)14-24-25(33)30-18(2)34-24;1-17-29-24(32)23(33-17)14-20-7-11-28-25(30-20)31-12-8-18(9-13-31)15-26-16-22-21-5-3-2-4-19(21)6-10-27-22;24-23(25,26)17-4-2-9-27-18(17)5-1-3-15-7-11-30(12-8-15)22-28-10-6-16(29-22)13-20-19(31)14-21(32)33-20;24-23(25,26)16-4-5-17(28-14-16)3-1-2-15-7-10-30(11-8-15)22-27-9-6-18(29-22)12-20-19(31)13-21(32)33-20;1-30-21-7-3-6-17(25-21)5-2-4-16-9-12-27(13-10-16)23-24-11-8-18(26-23)14-20-19(28)15-22(29)31-20;23-17-4-2-9-24-18(17)5-1-3-15-7-11-27(12-8-15)22-25-10-6-16(26-22)13-20-19(28)14-21(29)30-20;23-20-6-2-5-16(25-20)4-1-3-15-8-11-27(12-9-15)22-24-10-7-17(26-22)13-19-18(28)14-21(29)30-19/h7,10,15,17-19H,1-6,8-9,11-14,16H2;3-7,10,13-14,19,27H,2,8-9,11-12,15-16H2,1H3,(H,30,33);2-7,10-11,14,18,26H,1,8-9,12-13,15-16H2,(H,29,32);2,4,6,9-10,13,15H,1,3,5,7-8,11-12,14H2;4-6,9,12,14-15H,1-3,7-8,10-11,13H2;3,6-8,11,14,16H,2,4-5,9-10,12-13,15H2,1H3;2,4,6,9-10,13,15H,1,3,5,7-8,11-12,14H2;2,5-7,10,13,15H,1,3-4,8-9,11-12,14H2/b23-15-;24-14-;23-14-;20-13-;20-12-;20-14-;20-13-;19-13-.
What are the key properties of (5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
(5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione has a molecular weight of 3668.49 g/mol, XLogP of 29.16, 50 rotatable bonds, 4 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[4-[3-(3-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(isoquinolin-1-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(6-methoxy-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[[(2-methylquinolin-4-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[3-(2-piperidin-1-ylpyrimidin-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[3-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is sourced from PubChem (CID 157321753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).