(5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione

C166H165ClF3N35O13S7 — CID 159731395

IUPAC(5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
SMILESC=c1[nH]c(=O)/c(=C/c2ccnc(N3CCC(CNCc4ccnc5ccccc45)CC3)n2)s1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(F)cn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccnc(Cl)c4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccc5cc(F)ccc5n4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccc5cccnc5n4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC[C@H](NCc4ccc5cc(F)ccc5n4)C3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC[C@H](NCc4ccc5ccccc5n4)C3)n2)S1
InChIInChI=1S/C25H24FN5O2S.C25H26N6OS.C24H22FN5O2S.C24H24N6O2S.C24H23N5O2S.C22H23ClN4O2S.C22H23FN4O2S/c26-18-2-4-21-17(11-18)1-3-20(29-21)15-27-14-16-6-9-31(10-7-16)25-28-8-5-19(30-25)12-23-22(32)13-24(33)34-23;1-17-29-24(32)23(33-17)14-20-7-11-28-25(30-20)31-12-8-18(9-13-31)15-26-16-19-6-10-27-22-5-3-2-4-21(19)22;25-16-4-6-20-15(10-16)3-5-18(28-20)13-27-19-2-1-9-30(14-19)24-26-8-7-17(29-24)11-22-21(31)12-23(32)33-22;31-20-13-22(32)33-21(20)12-18-5-9-27-24(29-18)30-10-6-16(7-11-30)14-25-15-19-4-3-17-2-1-8-26-23(17)28-19;30-21-13-23(31)32-22(21)12-17-9-10-25-24(28-17)29-11-3-5-19(15-29)26-14-18-8-7-16-4-1-2-6-20(16)27-18;23-20-12-16(4-8-24-20)3-1-2-15-6-10-27(11-7-15)22-25-9-5-17(26-22)13-19-18(28)14-21(29)30-19;23-16-4-5-17(25-14-16)3-1-2-15-7-10-27(11-8-15)22-24-9-6-18(26-22)12-20-19(28)13-21(29)30-20/h1-5,8,11-12,16,27H,6-7,9-10,13-15H2;2-7,10-11,14,18,26H,1,8-9,12-13,15-16H2,(H,29,32);3-8,10-11,19,27H,1-2,9,12-14H2;1-5,8-9,12,16,25H,6-7,10-11,13-15H2;1-2,4,6-10,12,19,26H,3,5,11,13-15H2;4-5,8-9,12-13,15H,1-3,6-7,10-11,14H2;4-6,9,12,14-15H,1-3,7-8,10-11,13H2/b23-12-;23-14-;22-11-;21-12-;22-12-;19-13-;20-12-/t;;19-;;19-;;/m..0.0../s1
InChIKeyNBGWMQIJLMUFDG-OPSXETSOSA-N
MW3175.29 g/mol
LogP23.78
Rot. Bonds40

About (5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione

(5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (PubChem CID 159731395) has the molecular formula C166H165ClF3N35O13S7 and a molecular weight of 3175.29 g/mol. Its IUPAC name is (5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
PubChem CID159731395
Molecular FormulaC166H165ClF3N35O13S7
Molecular Weight3175.29 g/mol
Exact Mass3172.10
IUPAC Name(5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
SMILESC=c1[nH]c(=O)/c(=C/c2ccnc(N3CCC(CNCc4ccnc5ccccc45)CC3)n2)s1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(F)cn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccnc(Cl)c4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccc5cc(F)ccc5n4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccc5cccnc5n4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC[C@H](NCc4ccc5cc(F)ccc5n4)C3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC[C@H](NCc4ccc5ccccc5n4)C3)n2)S1
InChIInChI=1S/C25H24FN5O2S.C25H26N6OS.C24H22FN5O2S.C24H24N6O2S.C24H23N5O2S.C22H23ClN4O2S.C22H23FN4O2S/c26-18-2-4-21-17(11-18)1-3-20(29-21)15-27-14-16-6-9-31(10-7-16)25-28-8-5-19(30-25)12-23-22(32)13-24(33)34-23;1-17-29-24(32)23(33-17)14-20-7-11-28-25(30-20)31-12-8-18(9-13-31)15-26-16-19-6-10-27-22-5-3-2-4-21(19)22;25-16-4-6-20-15(10-16)3-5-18(28-20)13-27-19-2-1-9-30(14-19)24-26-8-7-17(29-24)11-22-21(31)12-23(32)33-22;31-20-13-22(32)33-21(20)12-18-5-9-27-24(29-18)30-10-6-16(7-11-30)14-25-15-19-4-3-17-2-1-8-26-23(17)28-19;30-21-13-23(31)32-22(21)12-17-9-10-25-24(28-17)29-11-3-5-19(15-29)26-14-18-8-7-16-4-1-2-6-20(16)27-18;23-20-12-16(4-8-24-20)3-1-2-15-6-10-27(11-7-15)22-25-9-5-17(26-22)13-19-18(28)14-21(29)30-19;23-16-4-5-17(25-14-16)3-1-2-15-7-10-27(11-8-15)22-24-9-6-18(26-22)12-20-19(28)13-21(29)30-20/h1-5,8,11-12,16,27H,6-7,9-10,13-15H2;2-7,10-11,14,18,26H,1,8-9,12-13,15-16H2,(H,29,32);3-8,10-11,19,27H,1-2,9,12-14H2;1-5,8-9,12,16,25H,6-7,10-11,13-15H2;1-2,4,6-10,12,19,26H,3,5,11,13-15H2;4-5,8-9,12-13,15H,1-3,6-7,10-11,14H2;4-6,9,12,14-15H,1-3,7-8,10-11,13H2/b23-12-;23-14-;22-11-;21-12-;22-12-;19-13-;20-12-/t;;19-;;19-;;/m..0.0../s1
InChIKeyNBGWMQIJLMUFDG-OPSXETSOSA-N
XLogP23.78
TPSA604.11 Ų
H-Bond Donors6
H-Bond Acceptors54
Rotatable Bonds40
Heavy Atoms225
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003175.29
LogP ≤ 523.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (CID 159731395) is (5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is C=c1[nH]c(=O)/c(=C/c2ccnc(N3CCC(CNCc4ccnc5ccccc45)CC3)n2)s1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccc(F)cn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccnc(Cl)c4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccc5cc(F)ccc5n4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNCc4ccc5cccnc5n4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC[C@H](NCc4ccc5cc(F)ccc5n4)C3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC[C@H](NCc4ccc5ccccc5n4)C3)n2)S1.
What is the InChIKey of (5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The InChIKey is NBGWMQIJLMUFDG-OPSXETSOSA-N. The full InChI is InChI=1S/C25H24FN5O2S.C25H26N6OS.C24H22FN5O2S.C24H24N6O2S.C24H23N5O2S.C22H23ClN4O2S.C22H23FN4O2S/c26-18-2-4-21-17(11-18)1-3-20(29-21)15-27-14-16-6-9-31(10-7-16)25-28-8-5-19(30-25)12-23-22(32)13-24(33)34-23;1-17-29-24(32)23(33-17)14-20-7-11-28-25(30-20)31-12-8-18(9-13-31)15-26-16-19-6-10-27-22-5-3-2-4-21(19)22;25-16-4-6-20-15(10-16)3-5-18(28-20)13-27-19-2-1-9-30(14-19)24-26-8-7-17(29-24)11-22-21(31)12-23(32)33-22;31-20-13-22(32)33-21(20)12-18-5-9-27-24(29-18)30-10-6-16(7-11-30)14-25-15-19-4-3-17-2-1-8-26-23(17)28-19;30-21-13-23(31)32-22(21)12-17-9-10-25-24(28-17)29-11-3-5-19(15-29)26-14-18-8-7-16-4-1-2-6-20(16)27-18;23-20-12-16(4-8-24-20)3-1-2-15-6-10-27(11-7-15)22-25-9-5-17(26-22)13-19-18(28)14-21(29)30-19;23-16-4-5-17(25-14-16)3-1-2-15-7-10-27(11-8-15)22-24-9-6-18(26-22)12-20-19(28)13-21(29)30-20/h1-5,8,11-12,16,27H,6-7,9-10,13-15H2;2-7,10-11,14,18,26H,1,8-9,12-13,15-16H2,(H,29,32);3-8,10-11,19,27H,1-2,9,12-14H2;1-5,8-9,12,16,25H,6-7,10-11,13-15H2;1-2,4,6-10,12,19,26H,3,5,11,13-15H2;4-5,8-9,12-13,15H,1-3,6-7,10-11,14H2;4-6,9,12,14-15H,1-3,7-8,10-11,13H2/b23-12-;23-14-;22-11-;21-12-;22-12-;19-13-;20-12-/t;;19-;;19-;;/m..0.0../s1.
What are the key properties of (5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
(5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione has a molecular weight of 3175.29 g/mol, XLogP of 23.78, 40 rotatable bonds, 6 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[4-[3-(2-chloro-4-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(5-fluoro-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[(6-fluoroquinolin-2-yl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-[(6-fluoroquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-2-methylidene-5-[[2-[4-[(quinolin-4-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-4-one;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3S)-3-(quinolin-2-ylmethylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is sourced from PubChem (CID 159731395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).