(5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione

C202H196F10N46O18S12 — CID 158762345

IUPAC(5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
SMILESCN(Cc1cccc(-c2cccs2)n1)CC1CCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)CC1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccnc4-c4ccc(C(F)(F)F)s4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4cccnc4-c4cccc(C(F)(F)F)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4cccnc4-c4ccccc4C(F)(F)F)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4cccnc4-c4ccco4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccnc(-c5ccco5)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4nc(-c5ccsc5)ccc4F)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ncccc4-c4ccsc4)CC3)n2)S1
InChIInChI=1S/2C27H25F3N6O2S.C27H25F3N4O2S2.C25H26N6O2S2.C24H23FN6O2S2.2C24H24N6O3S.C24H24N6O2S2/c28-27(29,30)20-5-1-3-18(13-20)23-19(4-2-9-32-23)16-31-15-17-7-11-36(12-8-17)25-33-10-6-21(34-25)14-22-24(37)35-26(38)39-22;28-27(29,30)21-6-2-1-5-20(21)23-18(4-3-10-32-23)16-31-15-17-8-12-36(13-9-17)25-33-11-7-19(34-25)14-22-24(37)35-26(38)39-22;28-27(29,30)23-7-6-21(37-23)25-18(5-2-11-31-25)4-1-3-17-9-13-34(14-10-17)26-32-12-8-19(33-26)15-22-20(35)16-24(36)38-22;1-30(16-19-4-2-5-20(27-19)21-6-3-13-34-21)15-17-8-11-31(12-9-17)24-26-10-7-18(28-24)14-22-23(32)29-25(33)35-22;25-18-1-2-19(16-6-10-34-14-16)29-20(18)13-26-12-15-4-8-31(9-5-15)23-27-7-3-17(28-23)11-21-22(32)30-24(33)35-21;31-22-20(34-24(32)29-22)13-18-5-9-27-23(28-18)30-10-6-16(7-11-30)14-25-15-17-3-1-8-26-21(17)19-4-2-12-33-19;31-22-21(34-24(32)29-22)13-18-4-8-27-23(28-18)30-9-5-16(6-10-30)14-25-15-17-3-7-26-19(12-17)20-2-1-11-33-20;31-22-21(34-24(32)29-22)12-18-3-8-27-23(28-18)30-9-4-16(5-10-30)13-25-14-20-19(2-1-7-26-20)17-6-11-33-15-17/h1-6,9-10,13-14,17,31H,7-8,11-12,15-16H2,(H,35,37,38);1-7,10-11,14,17,31H,8-9,12-13,15-16H2,(H,35,37,38);2,5-8,11-12,15,17H,1,3-4,9-10,13-14,16H2;2-7,10,13-14,17H,8-9,11-12,15-16H2,1H3,(H,29,32,33);1-3,6-7,10-11,14-15,26H,4-5,8-9,12-13H2,(H,30,32,33);1-5,8-9,12-13,16,25H,6-7,10-11,14-15H2,(H,29,31,32);1-4,7-8,11-13,16,25H,5-6,9-10,14-15H2,(H,29,31,32);1-3,6-8,11-12,15-16,25H,4-5,9-10,13-14H2,(H,29,31,32)/b2*22-14-;22-15-;22-14-;21-11-;20-13-;21-13-;21-12-
InChIKeyIOVHQBWSSCENTP-QREAKQBSSA-N
MW4130.88 g/mol
LogP35.40
Rot. Bonds56

About (5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione

(5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (PubChem CID 158762345) has the molecular formula C202H196F10N46O18S12 and a molecular weight of 4130.88 g/mol. Its IUPAC name is (5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
PubChem CID158762345
Molecular FormulaC202H196F10N46O18S12
Molecular Weight4130.88 g/mol
Exact Mass4127.23
IUPAC Name(5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
SMILESCN(Cc1cccc(-c2cccs2)n1)CC1CCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)CC1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccnc4-c4ccc(C(F)(F)F)s4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4cccnc4-c4cccc(C(F)(F)F)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4cccnc4-c4ccccc4C(F)(F)F)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4cccnc4-c4ccco4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccnc(-c5ccco5)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4nc(-c5ccsc5)ccc4F)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ncccc4-c4ccsc4)CC3)n2)S1
InChIInChI=1S/2C27H25F3N6O2S.C27H25F3N4O2S2.C25H26N6O2S2.C24H23FN6O2S2.2C24H24N6O3S.C24H24N6O2S2/c28-27(29,30)20-5-1-3-18(13-20)23-19(4-2-9-32-23)16-31-15-17-7-11-36(12-8-17)25-33-10-6-21(34-25)14-22-24(37)35-26(38)39-22;28-27(29,30)21-6-2-1-5-20(21)23-18(4-3-10-32-23)16-31-15-17-8-12-36(13-9-17)25-33-11-7-19(34-25)14-22-24(37)35-26(38)39-22;28-27(29,30)23-7-6-21(37-23)25-18(5-2-11-31-25)4-1-3-17-9-13-34(14-10-17)26-32-12-8-19(33-26)15-22-20(35)16-24(36)38-22;1-30(16-19-4-2-5-20(27-19)21-6-3-13-34-21)15-17-8-11-31(12-9-17)24-26-10-7-18(28-24)14-22-23(32)29-25(33)35-22;25-18-1-2-19(16-6-10-34-14-16)29-20(18)13-26-12-15-4-8-31(9-5-15)23-27-7-3-17(28-23)11-21-22(32)30-24(33)35-21;31-22-20(34-24(32)29-22)13-18-5-9-27-23(28-18)30-10-6-16(7-11-30)14-25-15-17-3-1-8-26-21(17)19-4-2-12-33-19;31-22-21(34-24(32)29-22)13-18-4-8-27-23(28-18)30-9-5-16(6-10-30)14-25-15-17-3-7-26-19(12-17)20-2-1-11-33-20;31-22-21(34-24(32)29-22)12-18-3-8-27-23(28-18)30-9-4-16(5-10-30)13-25-14-20-19(2-1-7-26-20)17-6-11-33-15-17/h1-6,9-10,13-14,17,31H,7-8,11-12,15-16H2,(H,35,37,38);1-7,10-11,14,17,31H,8-9,12-13,15-16H2,(H,35,37,38);2,5-8,11-12,15,17H,1,3-4,9-10,13-14,16H2;2-7,10,13-14,17H,8-9,11-12,15-16H2,1H3,(H,29,32,33);1-3,6-7,10-11,14-15,26H,4-5,8-9,12-13H2,(H,30,32,33);1-5,8-9,12-13,16,25H,6-7,10-11,14-15H2,(H,29,31,32);1-4,7-8,11-13,16,25H,5-6,9-10,14-15H2,(H,29,31,32);1-3,6-8,11-12,15-16,25H,4-5,9-10,13-14H2,(H,29,31,32)/b2*22-14-;22-15-;22-14-;21-11-;20-13-;21-13-;21-12-
InChIKeyIOVHQBWSSCENTP-QREAKQBSSA-N
XLogP35.40
TPSA794.31 Ų
H-Bond Donors13
H-Bond Acceptors69
Rotatable Bonds56
Heavy Atoms288
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004130.88
LogP ≤ 535.40
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1069

Analyze (5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione with MolForge

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What is the IUPAC name of (5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (CID 158762345) is (5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is CN(Cc1cccc(-c2cccs2)n1)CC1CCN(c2nccc(/C=C3\SC(=O)NC3=O)n2)CC1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccnc4-c4ccc(C(F)(F)F)s4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4cccnc4-c4cccc(C(F)(F)F)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4cccnc4-c4ccccc4C(F)(F)F)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4cccnc4-c4ccco4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccnc(-c5ccco5)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4nc(-c5ccsc5)ccc4F)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ncccc4-c4ccsc4)CC3)n2)S1.
What is the InChIKey of (5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The InChIKey is IOVHQBWSSCENTP-QREAKQBSSA-N. The full InChI is InChI=1S/2C27H25F3N6O2S.C27H25F3N4O2S2.C25H26N6O2S2.C24H23FN6O2S2.2C24H24N6O3S.C24H24N6O2S2/c28-27(29,30)20-5-1-3-18(13-20)23-19(4-2-9-32-23)16-31-15-17-7-11-36(12-8-17)25-33-10-6-21(34-25)14-22-24(37)35-26(38)39-22;28-27(29,30)21-6-2-1-5-20(21)23-18(4-3-10-32-23)16-31-15-17-8-12-36(13-9-17)25-33-11-7-19(34-25)14-22-24(37)35-26(38)39-22;28-27(29,30)23-7-6-21(37-23)25-18(5-2-11-31-25)4-1-3-17-9-13-34(14-10-17)26-32-12-8-19(33-26)15-22-20(35)16-24(36)38-22;1-30(16-19-4-2-5-20(27-19)21-6-3-13-34-21)15-17-8-11-31(12-9-17)24-26-10-7-18(28-24)14-22-23(32)29-25(33)35-22;25-18-1-2-19(16-6-10-34-14-16)29-20(18)13-26-12-15-4-8-31(9-5-15)23-27-7-3-17(28-23)11-21-22(32)30-24(33)35-21;31-22-20(34-24(32)29-22)13-18-5-9-27-23(28-18)30-10-6-16(7-11-30)14-25-15-17-3-1-8-26-21(17)19-4-2-12-33-19;31-22-21(34-24(32)29-22)13-18-4-8-27-23(28-18)30-9-5-16(6-10-30)14-25-15-17-3-7-26-19(12-17)20-2-1-11-33-20;31-22-21(34-24(32)29-22)12-18-3-8-27-23(28-18)30-9-4-16(5-10-30)13-25-14-20-19(2-1-7-26-20)17-6-11-33-15-17/h1-6,9-10,13-14,17,31H,7-8,11-12,15-16H2,(H,35,37,38);1-7,10-11,14,17,31H,8-9,12-13,15-16H2,(H,35,37,38);2,5-8,11-12,15,17H,1,3-4,9-10,13-14,16H2;2-7,10,13-14,17H,8-9,11-12,15-16H2,1H3,(H,29,32,33);1-3,6-7,10-11,14-15,26H,4-5,8-9,12-13H2,(H,30,32,33);1-5,8-9,12-13,16,25H,6-7,10-11,14-15H2,(H,29,31,32);1-4,7-8,11-13,16,25H,5-6,9-10,14-15H2,(H,29,31,32);1-3,6-8,11-12,15-16,25H,4-5,9-10,13-14H2,(H,29,31,32)/b2*22-14-;22-15-;22-14-;21-11-;20-13-;21-13-;21-12-.
What are the key properties of (5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
(5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione has a molecular weight of 4130.88 g/mol, XLogP of 35.40, 56 rotatable bonds, 13 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is sourced from PubChem (CID 158762345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).