(5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

C161H173F2N31O14S8 — CID 160924563

IUPAC(5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC1(CNCc2ccc3cc(F)ccc3n2)CCN(c2nccc(/C=C3\SC(=O)CC3=O)n2)CC1.Cn1cnc2cc(CCCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)ccc21.NCC1CCN(c2cc(/C=C3\SC(=O)CC3=O)ncn2)CC1.O=C1CC(=O)/C(=C/c2cccc(N3CCC(CNCc4ccc5cc(F)ccc5n4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNC4CCCCC4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc5c(c4)C=CC5)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc5sccc5c4)CC3)n2)S1
InChIInChI=1S/C26H26FN5O2S.C26H25FN4O2S.C25H26N4O2S.C24H26N6O2S.C24H24N4O2S2.C21H28N4O2S.C15H18N4O2S/c1-26(16-28-15-20-4-2-17-12-18(27)3-5-21(17)30-20)7-10-32(11-8-26)25-29-9-6-19(31-25)13-23-22(33)14-24(34)35-23;27-19-5-7-22-18(12-19)4-6-21(29-22)16-28-15-17-8-10-31(11-9-17)25-3-1-2-20(30-25)13-24-23(32)14-26(33)34-24;30-23-22(32-25(31)28-23)16-21-9-12-26-24(27-21)29-13-10-17(11-14-29)3-1-4-18-7-8-19-5-2-6-20(19)15-18;1-29-15-26-19-13-17(5-6-20(19)29)4-2-3-16-8-11-30(12-9-16)23-25-10-7-18(27-23)14-21-22(31)28-24(32)33-21;29-22-21(32-24(30)27-22)15-19-6-10-25-23(26-19)28-11-7-16(8-12-28)2-1-3-17-4-5-20-18(14-17)9-13-31-20;26-18-13-20(27)28-19(18)12-17-6-9-22-21(24-17)25-10-7-15(8-11-25)14-23-16-4-2-1-3-5-16;16-8-10-1-3-19(4-2-10)14-6-11(17-9-18-14)5-13-12(20)7-15(21)22-13/h2-6,9,12-13,28H,7-8,10-11,14-16H2,1H3;1-7,12-13,17,28H,8-11,14-16H2;2,6-9,12,15-17H,1,3-5,10-11,13-14H2,(H,28,30,31);5-7,10,13-16H,2-4,8-9,11-12H2,1H3,(H,28,31,32);4-6,9-10,13-16H,1-3,7-8,11-12H2,(H,27,29,30);6,9,12,15-16,23H,1-5,7-8,10-11,13-14H2;5-6,9-10H,1-4,7-8,16H2/b23-13-;24-13-;22-16-;21-14-;21-15-;19-12-;13-5-
InChIKeySSLYKSCDNBNKIW-RMWQBFOTSA-N
MW3060.89 g/mol
LogP26.69
Rot. Bonds38

About (5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 160924563) has the molecular formula C161H173F2N31O14S8 and a molecular weight of 3060.89 g/mol. Its IUPAC name is (5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID160924563
Molecular FormulaC161H173F2N31O14S8
Molecular Weight3060.89 g/mol
Exact Mass3058.15
IUPAC Name(5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC1(CNCc2ccc3cc(F)ccc3n2)CCN(c2nccc(/C=C3\SC(=O)CC3=O)n2)CC1.Cn1cnc2cc(CCCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)ccc21.NCC1CCN(c2cc(/C=C3\SC(=O)CC3=O)ncn2)CC1.O=C1CC(=O)/C(=C/c2cccc(N3CCC(CNCc4ccc5cc(F)ccc5n4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNC4CCCCC4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc5c(c4)C=CC5)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc5sccc5c4)CC3)n2)S1
InChIInChI=1S/C26H26FN5O2S.C26H25FN4O2S.C25H26N4O2S.C24H26N6O2S.C24H24N4O2S2.C21H28N4O2S.C15H18N4O2S/c1-26(16-28-15-20-4-2-17-12-18(27)3-5-21(17)30-20)7-10-32(11-8-26)25-29-9-6-19(31-25)13-23-22(33)14-24(34)35-23;27-19-5-7-22-18(12-19)4-6-21(29-22)16-28-15-17-8-10-31(11-9-17)25-3-1-2-20(30-25)13-24-23(32)14-26(33)34-24;30-23-22(32-25(31)28-23)16-21-9-12-26-24(27-21)29-13-10-17(11-14-29)3-1-4-18-7-8-19-5-2-6-20(19)15-18;1-29-15-26-19-13-17(5-6-20(19)29)4-2-3-16-8-11-30(12-9-16)23-25-10-7-18(27-23)14-21-22(31)28-24(32)33-21;29-22-21(32-24(30)27-22)15-19-6-10-25-23(26-19)28-11-7-16(8-12-28)2-1-3-17-4-5-20-18(14-17)9-13-31-20;26-18-13-20(27)28-19(18)12-17-6-9-22-21(24-17)25-10-7-15(8-11-25)14-23-16-4-2-1-3-5-16;16-8-10-1-3-19(4-2-10)14-6-11(17-9-18-14)5-13-12(20)7-15(21)22-13/h2-6,9,12-13,28H,7-8,10-11,14-16H2,1H3;1-7,12-13,17,28H,8-11,14-16H2;2,6-9,12,15-17H,1,3-5,10-11,13-14H2,(H,28,30,31);5-7,10,13-16H,2-4,8-9,11-12H2,1H3,(H,28,31,32);4-6,9-10,13-16H,1-3,7-8,11-12H2,(H,27,29,30);6,9,12,15-16,23H,1-5,7-8,10-11,13-14H2;5-6,9-10H,1-4,7-8,16H2/b23-13-;24-13-;22-16-;21-14-;21-15-;19-12-;13-5-
InChIKeySSLYKSCDNBNKIW-RMWQBFOTSA-N
XLogP26.69
TPSA571.03 Ų
H-Bond Donors7
H-Bond Acceptors50
Rotatable Bonds38
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003060.89
LogP ≤ 526.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1050

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-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 160924563) is (5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is CC1(CNCc2ccc3cc(F)ccc3n2)CCN(c2nccc(/C=C3\SC(=O)CC3=O)n2)CC1.Cn1cnc2cc(CCCC3CCN(c4nccc(/C=C5\SC(=O)NC5=O)n4)CC3)ccc21.NCC1CCN(c2cc(/C=C3\SC(=O)CC3=O)ncn2)CC1.O=C1CC(=O)/C(=C/c2cccc(N3CCC(CNCc4ccc5cc(F)ccc5n4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNC4CCCCC4)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc5c(c4)C=CC5)CC3)n2)S1.O=C1NC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc5sccc5c4)CC3)n2)S1.
What is the InChIKey of (5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is SSLYKSCDNBNKIW-RMWQBFOTSA-N. The full InChI is InChI=1S/C26H26FN5O2S.C26H25FN4O2S.C25H26N4O2S.C24H26N6O2S.C24H24N4O2S2.C21H28N4O2S.C15H18N4O2S/c1-26(16-28-15-20-4-2-17-12-18(27)3-5-21(17)30-20)7-10-32(11-8-26)25-29-9-6-19(31-25)13-23-22(33)14-24(34)35-23;27-19-5-7-22-18(12-19)4-6-21(29-22)16-28-15-17-8-10-31(11-9-17)25-3-1-2-20(30-25)13-24-23(32)14-26(33)34-24;30-23-22(32-25(31)28-23)16-21-9-12-26-24(27-21)29-13-10-17(11-14-29)3-1-4-18-7-8-19-5-2-6-20(19)15-18;1-29-15-26-19-13-17(5-6-20(19)29)4-2-3-16-8-11-30(12-9-16)23-25-10-7-18(27-23)14-21-22(31)28-24(32)33-21;29-22-21(32-24(30)27-22)15-19-6-10-25-23(26-19)28-11-7-16(8-12-28)2-1-3-17-4-5-20-18(14-17)9-13-31-20;26-18-13-20(27)28-19(18)12-17-6-9-22-21(24-17)25-10-7-15(8-11-25)14-23-16-4-2-1-3-5-16;16-8-10-1-3-19(4-2-10)14-6-11(17-9-18-14)5-13-12(20)7-15(21)22-13/h2-6,9,12-13,28H,7-8,10-11,14-16H2,1H3;1-7,12-13,17,28H,8-11,14-16H2;2,6-9,12,15-17H,1,3-5,10-11,13-14H2,(H,28,30,31);5-7,10,13-16H,2-4,8-9,11-12H2,1H3,(H,28,31,32);4-6,9-10,13-16H,1-3,7-8,11-12H2,(H,27,29,30);6,9,12,15-16,23H,1-5,7-8,10-11,13-14H2;5-6,9-10H,1-4,7-8,16H2/b23-13-;24-13-;22-16-;21-14-;21-15-;19-12-;13-5-.
What are the key properties of (5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 3060.89 g/mol, XLogP of 26.69, 38 rotatable bonds, 7 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[6-[4-(aminomethyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1-benzothiophen-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[(cyclohexylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]-4-methylpiperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[6-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]-2-pyridinyl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(1H-inden-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-(1-methylbenzimidazol-5-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 160924563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).