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

C211H210F6N46O20S8 — CID 158397958

IUPAC(5Z)-5-[[2-[4-[[[6-(1-benzofuran-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[4-(1,1-difluoroethyl)phenyl]-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)phenyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrrol-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
SMILESCC(F)(F)c1ccc(-c2cccc(CNCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)n2)cc1.CC(F)(F)c1cccc(-c2cccc(CNCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)n2)c1.CC(F)(F)c1ccccc1-c1cccc(CNCC2CCN(c3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)n1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccnc4-c4ccc[nH]4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccc(-c5ccco5)nc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4cccc(-c5cc6ccccc6o5)n4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4cccc(-c5ccco5)n4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccccc4-c4ccco4)CC3)n2)S1
InChIInChI=1S/3C28H28F2N6O2S.C28H26N6O3S.C26H27N5O2S.C25H25N5O3S.2C24H24N6O3S/c1-28(29,30)20-5-2-4-19(14-20)23-7-3-6-22(33-23)17-31-16-18-9-12-36(13-10-18)26-32-11-8-21(34-26)15-24-25(37)35-27(38)39-24;1-28(29,30)22-7-3-2-6-21(22)23-8-4-5-20(33-23)17-31-16-18-10-13-36(14-11-18)26-32-12-9-19(34-26)15-24-25(37)35-27(38)39-24;1-28(29,30)20-7-5-19(6-8-20)23-4-2-3-22(33-23)17-31-16-18-10-13-36(14-11-18)26-32-12-9-21(34-26)15-24-25(37)35-27(38)39-24;35-26-25(38-28(36)33-26)15-20-8-11-30-27(32-20)34-12-9-18(10-13-34)16-29-17-21-5-3-6-22(31-21)24-14-19-4-1-2-7-23(19)37-24;32-22-17-24(33)34-23(22)16-20-8-13-29-26(30-20)31-14-9-18(10-15-31)4-1-5-19-6-2-12-28-25(19)21-7-3-11-27-21;31-23-22(34-25(32)29-23)14-19-7-10-27-24(28-19)30-11-8-17(9-12-30)15-26-16-18-4-1-2-5-20(18)21-6-3-13-33-21;31-22-21(34-24(32)29-22)13-17-6-9-26-23(28-17)30-10-7-16(8-11-30)14-25-15-18-3-1-4-19(27-18)20-5-2-12-33-20;31-22-21(34-24(32)29-22)12-18-5-8-26-23(28-18)30-9-6-16(7-10-30)13-25-14-17-3-4-19(27-15-17)20-2-1-11-33-20/h2-8,11,14-15,18,31H,9-10,12-13,16-17H2,1H3,(H,35,37,38);2*2-9,12,15,18,31H,10-11,13-14,16-17H2,1H3,(H,35,37,38);1-8,11,14-15,18,29H,9-10,12-13,16-17H2,(H,33,35,36);2-3,6-8,11-13,16,18,27H,1,4-5,9-10,14-15,17H2;1-7,10,13-14,17,26H,8-9,11-12,15-16H2,(H,29,31,32);1-6,9,12-13,16,25H,7-8,10-11,14-15H2,(H,29,31,32);1-5,8,11-12,15-16,25H,6-7,9-10,13-14H2,(H,29,31,32)/b3*24-15-;25-15-;23-16-;22-14-;21-13-;21-12-
InChIKeyGXTAKEHXLNLQAE-FPDLRGSBSA-N
MW4080.83 g/mol
LogP35.23
Rot. Bonds59

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

(5Z)-5-[[2-[4-[[[6-(1-benzofuran-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[4-(1,1-difluoroethyl)phenyl]-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)phenyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrrol-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (PubChem CID 158397958) has the molecular formula C211H210F6N46O20S8 and a molecular weight of 4080.83 g/mol. Its IUPAC name is (5Z)-5-[[2-[4-[[[6-(1-benzofuran-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[4-(1,1-difluoroethyl)phenyl]-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)phenyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrrol-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[4-[[[6-(1-benzofuran-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[4-(1,1-difluoroethyl)phenyl]-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)phenyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrrol-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
PubChem CID158397958
Molecular FormulaC211H210F6N46O20S8
Molecular Weight4080.83 g/mol
Exact Mass4077.45
IUPAC Name(5Z)-5-[[2-[4-[[[6-(1-benzofuran-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[4-(1,1-difluoroethyl)phenyl]-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)phenyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrrol-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
SMILESCC(F)(F)c1ccc(-c2cccc(CNCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)n2)cc1.CC(F)(F)c1cccc(-c2cccc(CNCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)n2)c1.CC(F)(F)c1ccccc1-c1cccc(CNCC2CCN(c3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)n1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccnc4-c4ccc[nH]4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccc(-c5ccco5)nc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4cccc(-c5cc6ccccc6o5)n4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4cccc(-c5ccco5)n4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccccc4-c4ccco4)CC3)n2)S1
InChIInChI=1S/3C28H28F2N6O2S.C28H26N6O3S.C26H27N5O2S.C25H25N5O3S.2C24H24N6O3S/c1-28(29,30)20-5-2-4-19(14-20)23-7-3-6-22(33-23)17-31-16-18-9-12-36(13-10-18)26-32-11-8-21(34-26)15-24-25(37)35-27(38)39-24;1-28(29,30)22-7-3-2-6-21(22)23-8-4-5-20(33-23)17-31-16-18-10-13-36(14-11-18)26-32-12-9-19(34-26)15-24-25(37)35-27(38)39-24;1-28(29,30)20-7-5-19(6-8-20)23-4-2-3-22(33-23)17-31-16-18-10-13-36(14-11-18)26-32-12-9-21(34-26)15-24-25(37)35-27(38)39-24;35-26-25(38-28(36)33-26)15-20-8-11-30-27(32-20)34-12-9-18(10-13-34)16-29-17-21-5-3-6-22(31-21)24-14-19-4-1-2-7-23(19)37-24;32-22-17-24(33)34-23(22)16-20-8-13-29-26(30-20)31-14-9-18(10-15-31)4-1-5-19-6-2-12-28-25(19)21-7-3-11-27-21;31-23-22(34-25(32)29-23)14-19-7-10-27-24(28-19)30-11-8-17(9-12-30)15-26-16-18-4-1-2-5-20(18)21-6-3-13-33-21;31-22-21(34-24(32)29-22)13-17-6-9-26-23(28-17)30-10-7-16(8-11-30)14-25-15-18-3-1-4-19(27-18)20-5-2-12-33-20;31-22-21(34-24(32)29-22)12-18-5-8-26-23(28-18)30-9-6-16(7-10-30)13-25-14-17-3-4-19(27-15-17)20-2-1-11-33-20/h2-8,11,14-15,18,31H,9-10,12-13,16-17H2,1H3,(H,35,37,38);2*2-9,12,15,18,31H,10-11,13-14,16-17H2,1H3,(H,35,37,38);1-8,11,14-15,18,29H,9-10,12-13,16-17H2,(H,33,35,36);2-3,6-8,11-13,16,18,27H,1,4-5,9-10,14-15,17H2;1-7,10,13-14,17,26H,8-9,11-12,15-16H2,(H,29,31,32);1-6,9,12-13,16,25H,7-8,10-11,14-15H2,(H,29,31,32);1-5,8,11-12,15-16,25H,6-7,9-10,13-14H2,(H,29,31,32)/b3*24-15-;25-15-;23-16-;22-14-;21-13-;21-12-
InChIKeyGXTAKEHXLNLQAE-FPDLRGSBSA-N
XLogP35.23
TPSA832.28 Ų
H-Bond Donors15
H-Bond Acceptors66
Rotatable Bonds59
Heavy Atoms291
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004080.83
LogP ≤ 535.23
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1066

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[4-[[[6-(1-benzofuran-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[4-(1,1-difluoroethyl)phenyl]-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)phenyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrrol-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[4-[[[6-(1-benzofuran-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[4-(1,1-difluoroethyl)phenyl]-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)phenyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrrol-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (CID 158397958) is (5Z)-5-[[2-[4-[[[6-(1-benzofuran-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[4-(1,1-difluoroethyl)phenyl]-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)phenyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrrol-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-[[[6-(1-benzofuran-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[4-(1,1-difluoroethyl)phenyl]-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)phenyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrrol-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[4-[[[6-(1-benzofuran-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[4-(1,1-difluoroethyl)phenyl]-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)phenyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrrol-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is CC(F)(F)c1ccc(-c2cccc(CNCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)n2)cc1.CC(F)(F)c1cccc(-c2cccc(CNCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)n2)c1.CC(F)(F)c1ccccc1-c1cccc(CNCC2CCN(c3nccc(/C=C4\SC(=O)NC4=O)n3)CC2)n1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccnc4-c4ccc[nH]4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccc(-c5ccco5)nc4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4cccc(-c5cc6ccccc6o5)n4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4cccc(-c5ccco5)n4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccccc4-c4ccco4)CC3)n2)S1.
What is the InChIKey of (5Z)-5-[[2-[4-[[[6-(1-benzofuran-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[4-(1,1-difluoroethyl)phenyl]-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)phenyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrrol-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The InChIKey is GXTAKEHXLNLQAE-FPDLRGSBSA-N. The full InChI is InChI=1S/3C28H28F2N6O2S.C28H26N6O3S.C26H27N5O2S.C25H25N5O3S.2C24H24N6O3S/c1-28(29,30)20-5-2-4-19(14-20)23-7-3-6-22(33-23)17-31-16-18-9-12-36(13-10-18)26-32-11-8-21(34-26)15-24-25(37)35-27(38)39-24;1-28(29,30)22-7-3-2-6-21(22)23-8-4-5-20(33-23)17-31-16-18-10-13-36(14-11-18)26-32-12-9-19(34-26)15-24-25(37)35-27(38)39-24;1-28(29,30)20-7-5-19(6-8-20)23-4-2-3-22(33-23)17-31-16-18-10-13-36(14-11-18)26-32-12-9-21(34-26)15-24-25(37)35-27(38)39-24;35-26-25(38-28(36)33-26)15-20-8-11-30-27(32-20)34-12-9-18(10-13-34)16-29-17-21-5-3-6-22(31-21)24-14-19-4-1-2-7-23(19)37-24;32-22-17-24(33)34-23(22)16-20-8-13-29-26(30-20)31-14-9-18(10-15-31)4-1-5-19-6-2-12-28-25(19)21-7-3-11-27-21;31-23-22(34-25(32)29-23)14-19-7-10-27-24(28-19)30-11-8-17(9-12-30)15-26-16-18-4-1-2-5-20(18)21-6-3-13-33-21;31-22-21(34-24(32)29-22)13-17-6-9-26-23(28-17)30-10-7-16(8-11-30)14-25-15-18-3-1-4-19(27-18)20-5-2-12-33-20;31-22-21(34-24(32)29-22)12-18-5-8-26-23(28-18)30-9-6-16(7-10-30)13-25-14-17-3-4-19(27-15-17)20-2-1-11-33-20/h2-8,11,14-15,18,31H,9-10,12-13,16-17H2,1H3,(H,35,37,38);2*2-9,12,15,18,31H,10-11,13-14,16-17H2,1H3,(H,35,37,38);1-8,11,14-15,18,29H,9-10,12-13,16-17H2,(H,33,35,36);2-3,6-8,11-13,16,18,27H,1,4-5,9-10,14-15,17H2;1-7,10,13-14,17,26H,8-9,11-12,15-16H2,(H,29,31,32);1-6,9,12-13,16,25H,7-8,10-11,14-15H2,(H,29,31,32);1-5,8,11-12,15-16,25H,6-7,9-10,13-14H2,(H,29,31,32)/b3*24-15-;25-15-;23-16-;22-14-;21-13-;21-12-.
What are the key properties of (5Z)-5-[[2-[4-[[[6-(1-benzofuran-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[4-(1,1-difluoroethyl)phenyl]-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)phenyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrrol-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
(5Z)-5-[[2-[4-[[[6-(1-benzofuran-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[4-(1,1-difluoroethyl)phenyl]-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)phenyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrrol-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione has a molecular weight of 4080.83 g/mol, XLogP of 35.23, 59 rotatable bonds, 15 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[4-[[[6-(1-benzofuran-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[2-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[3-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-[4-(1,1-difluoroethyl)phenyl]-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)phenyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[6-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(1H-pyrrol-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is sourced from PubChem (CID 158397958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).