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

C178H180N38O18S8 — CID 159024319

IUPAC(5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-3-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(furan-2-yl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[6-(4-methoxyphenyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-phenyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrazol-5-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-4-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(-c2cccc(CNCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)n2)cc1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(-c5ccccc5)cn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(-c5ccco5)cn4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccnc4-c4ccn[nH]4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccnc4-c4ccoc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccnc(-c5ccoc5)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccnc(-c5ccsc5)c4)CC3)n2)S1
InChIInChI=1S/C28H28N4O2S.C27H28N6O3S.C26H26N4O3S.C25H25N5O3S.C24H25N7O2S.C24H24N6O3S.C24H24N6O2S2/c33-25-18-27(34)35-26(25)17-24-11-14-29-28(31-24)32-15-12-20(13-16-32)5-4-8-23-10-9-22(19-30-23)21-6-2-1-3-7-21;1-36-22-7-5-19(6-8-22)23-4-2-3-21(30-23)17-28-16-18-10-13-33(14-11-18)26-29-12-9-20(31-26)15-24-25(34)32-27(35)37-24;31-22-16-25(32)34-24(22)15-21-8-11-27-26(29-21)30-12-9-18(10-13-30)3-1-4-20-7-6-19(17-28-20)23-5-2-14-33-23;31-23-21(34-25(32)29-23)15-20-6-11-27-24(28-20)30-12-7-17(8-13-30)3-1-4-18-5-2-10-26-22(18)19-9-14-33-16-19;32-22-20(34-24(33)29-22)15-18-6-11-26-23(28-18)31-13-8-16(9-14-31)3-1-4-17-5-2-10-25-21(17)19-7-12-27-30-19;2*31-22-21(34-24(32)29-22)12-19-2-7-27-23(28-19)30-8-3-16(4-9-30)13-25-14-17-1-6-26-20(11-17)18-5-10-33-15-18/h1-3,6-7,9-11,14,17,19-20H,4-5,8,12-13,15-16,18H2;2-9,12,15,18,28H,10-11,13-14,16-17H2,1H3,(H,32,34,35);2,5-8,11,14-15,17-18H,1,3-4,9-10,12-13,16H2;2,5-6,9-11,14-17H,1,3-4,7-8,12-13H2,(H,29,31,32);2,5-7,10-12,15-16H,1,3-4,8-9,13-14H2,(H,27,30)(H,29,32,33);2*1-2,5-7,10-12,15-16,25H,3-4,8-9,13-14H2,(H,29,31,32)/b26-17-;2*24-15-;21-15-;20-15-;2*21-12-
InChIKeyJUCGRTLTMUPNAW-RJFCWHGLSA-N
MW3396.18 g/mol
LogP30.08
Rot. Bonds50

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

(5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-3-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(furan-2-yl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[6-(4-methoxyphenyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-phenyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrazol-5-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-4-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 159024319) has the molecular formula C178H180N38O18S8 and a molecular weight of 3396.18 g/mol. Its IUPAC name is (5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-3-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(furan-2-yl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[6-(4-methoxyphenyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-phenyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrazol-5-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-4-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-3-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(furan-2-yl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[6-(4-methoxyphenyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-phenyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrazol-5-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-4-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID159024319
Molecular FormulaC178H180N38O18S8
Molecular Weight3396.18 g/mol
Exact Mass3393.21
IUPAC Name(5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-3-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(furan-2-yl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[6-(4-methoxyphenyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-phenyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrazol-5-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-4-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(-c2cccc(CNCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)n2)cc1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(-c5ccccc5)cn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(-c5ccco5)cn4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccnc4-c4ccn[nH]4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccnc4-c4ccoc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccnc(-c5ccoc5)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccnc(-c5ccsc5)c4)CC3)n2)S1
InChIInChI=1S/C28H28N4O2S.C27H28N6O3S.C26H26N4O3S.C25H25N5O3S.C24H25N7O2S.C24H24N6O3S.C24H24N6O2S2/c33-25-18-27(34)35-26(25)17-24-11-14-29-28(31-24)32-15-12-20(13-16-32)5-4-8-23-10-9-22(19-30-23)21-6-2-1-3-7-21;1-36-22-7-5-19(6-8-22)23-4-2-3-21(30-23)17-28-16-18-10-13-33(14-11-18)26-29-12-9-20(31-26)15-24-25(34)32-27(35)37-24;31-22-16-25(32)34-24(22)15-21-8-11-27-26(29-21)30-12-9-18(10-13-30)3-1-4-20-7-6-19(17-28-20)23-5-2-14-33-23;31-23-21(34-25(32)29-23)15-20-6-11-27-24(28-20)30-12-7-17(8-13-30)3-1-4-18-5-2-10-26-22(18)19-9-14-33-16-19;32-22-20(34-24(33)29-22)15-18-6-11-26-23(28-18)31-13-8-16(9-14-31)3-1-4-17-5-2-10-25-21(17)19-7-12-27-30-19;2*31-22-21(34-24(32)29-22)12-19-2-7-27-23(28-19)30-8-3-16(4-9-30)13-25-14-17-1-6-26-20(11-17)18-5-10-33-15-18/h1-3,6-7,9-11,14,17,19-20H,4-5,8,12-13,15-16,18H2;2-9,12,15,18,28H,10-11,13-14,16-17H2,1H3,(H,32,34,35);2,5-8,11,14-15,17-18H,1,3-4,9-10,12-13,16H2;2,5-6,9-11,14-17H,1,3-4,7-8,12-13H2,(H,29,31,32);2,5-7,10-12,15-16H,1,3-4,8-9,13-14H2,(H,27,30)(H,29,32,33);2*1-2,5-7,10-12,15-16,25H,3-4,8-9,13-14H2,(H,29,31,32)/b26-17-;2*24-15-;21-15-;20-15-;2*21-12-
InChIKeyJUCGRTLTMUPNAW-RJFCWHGLSA-N
XLogP30.08
TPSA705.92 Ų
H-Bond Donors9
H-Bond Acceptors58
Rotatable Bonds50
Heavy Atoms242
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003396.18
LogP ≤ 530.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1058

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'}

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-3-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(furan-2-yl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[6-(4-methoxyphenyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-phenyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrazol-5-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-4-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-3-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(furan-2-yl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[6-(4-methoxyphenyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-phenyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrazol-5-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-4-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 159024319) is (5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-3-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(furan-2-yl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[6-(4-methoxyphenyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-phenyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrazol-5-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-4-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-3-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(furan-2-yl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[6-(4-methoxyphenyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-phenyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrazol-5-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-4-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-3-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(furan-2-yl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[6-(4-methoxyphenyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-phenyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrazol-5-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-4-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is COc1ccc(-c2cccc(CNCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)n2)cc1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(-c5ccccc5)cn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(-c5ccco5)cn4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccnc4-c4ccn[nH]4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccnc4-c4ccoc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccnc(-c5ccoc5)c4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccnc(-c5ccsc5)c4)CC3)n2)S1.
What is the InChIKey of (5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-3-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(furan-2-yl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[6-(4-methoxyphenyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-phenyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrazol-5-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-4-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is JUCGRTLTMUPNAW-RJFCWHGLSA-N. The full InChI is InChI=1S/C28H28N4O2S.C27H28N6O3S.C26H26N4O3S.C25H25N5O3S.C24H25N7O2S.C24H24N6O3S.C24H24N6O2S2/c33-25-18-27(34)35-26(25)17-24-11-14-29-28(31-24)32-15-12-20(13-16-32)5-4-8-23-10-9-22(19-30-23)21-6-2-1-3-7-21;1-36-22-7-5-19(6-8-22)23-4-2-3-21(30-23)17-28-16-18-10-13-33(14-11-18)26-29-12-9-20(31-26)15-24-25(34)32-27(35)37-24;31-22-16-25(32)34-24(22)15-21-8-11-27-26(29-21)30-12-9-18(10-13-30)3-1-4-20-7-6-19(17-28-20)23-5-2-14-33-23;31-23-21(34-25(32)29-23)15-20-6-11-27-24(28-20)30-12-7-17(8-13-30)3-1-4-18-5-2-10-26-22(18)19-9-14-33-16-19;32-22-20(34-24(33)29-22)15-18-6-11-26-23(28-18)31-13-8-16(9-14-31)3-1-4-17-5-2-10-25-21(17)19-7-12-27-30-19;2*31-22-21(34-24(32)29-22)12-19-2-7-27-23(28-19)30-8-3-16(4-9-30)13-25-14-17-1-6-26-20(11-17)18-5-10-33-15-18/h1-3,6-7,9-11,14,17,19-20H,4-5,8,12-13,15-16,18H2;2-9,12,15,18,28H,10-11,13-14,16-17H2,1H3,(H,32,34,35);2,5-8,11,14-15,17-18H,1,3-4,9-10,12-13,16H2;2,5-6,9-11,14-17H,1,3-4,7-8,12-13H2,(H,29,31,32);2,5-7,10-12,15-16H,1,3-4,8-9,13-14H2,(H,27,30)(H,29,32,33);2*1-2,5-7,10-12,15-16,25H,3-4,8-9,13-14H2,(H,29,31,32)/b26-17-;2*24-15-;21-15-;20-15-;2*21-12-.
What are the key properties of (5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-3-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(furan-2-yl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[6-(4-methoxyphenyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-phenyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrazol-5-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-4-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-3-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(furan-2-yl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[6-(4-methoxyphenyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-phenyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrazol-5-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-4-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 3396.18 g/mol, XLogP of 30.08, 50 rotatable bonds, 9 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-3-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[5-(furan-2-yl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[[6-(4-methoxyphenyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(5-phenyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrazol-5-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-4-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 159024319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).