(5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione

C86H99N19O9S4 — CID 158838324

IUPAC(5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
SMILESO=C1CC(=O)/C(=C/c2ccnc(C[C@H]3CCCN(CC4CCCNC4)C3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNc4ccc(N5CCOCC5)cc4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNc4ccccn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNc4cccnc4)CC3)n2)S1
InChIInChI=1S/C25H29N5O3S.C21H28N4O2S.2C20H21N5O2S/c31-22-16-24(32)34-23(22)15-20-5-8-26-25(28-20)30-9-6-18(7-10-30)17-27-19-1-3-21(4-2-19)29-11-13-33-14-12-29;26-18-11-21(27)28-19(18)10-17-5-7-23-20(24-17)9-15-4-2-8-25(13-15)14-16-3-1-6-22-12-16;26-17-11-19(27)28-18(17)10-15-3-7-22-20(24-15)25-8-4-14(5-9-25)12-23-16-2-1-6-21-13-16;26-16-12-19(27)28-17(16)11-15-4-8-22-20(24-15)25-9-5-14(6-10-25)13-23-18-3-1-2-7-21-18/h1-5,8,15,18,27H,6-7,9-14,16-17H2;5,7,10,15-16,22H,1-4,6,8-9,11-14H2;1-3,6-7,10,13-14,23H,4-5,8-9,11-12H2;1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,21,23)/b23-15-;19-10-;18-10-;17-11-/t;15-,16?;;/m.1../s1
InChIKeyIXXMIGMHYBPMEQ-FRRXBOSOSA-N
MW1671.13 g/mol
LogP11.07
Rot. Bonds21

About (5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione

(5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (PubChem CID 158838324) has the molecular formula C86H99N19O9S4 and a molecular weight of 1671.13 g/mol. Its IUPAC name is (5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
PubChem CID158838324
Molecular FormulaC86H99N19O9S4
Molecular Weight1671.13 g/mol
Exact Mass1669.68
IUPAC Name(5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
SMILESO=C1CC(=O)/C(=C/c2ccnc(C[C@H]3CCCN(CC4CCCNC4)C3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNc4ccc(N5CCOCC5)cc4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNc4ccccn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNc4cccnc4)CC3)n2)S1
InChIInChI=1S/C25H29N5O3S.C21H28N4O2S.2C20H21N5O2S/c31-22-16-24(32)34-23(22)15-20-5-8-26-25(28-20)30-9-6-18(7-10-30)17-27-19-1-3-21(4-2-19)29-11-13-33-14-12-29;26-18-11-21(27)28-19(18)10-17-5-7-23-20(24-17)9-15-4-2-8-25(13-15)14-16-3-1-6-22-12-16;26-17-11-19(27)28-18(17)10-15-3-7-22-20(24-15)25-8-4-14(5-9-25)12-23-16-2-1-6-21-13-16;26-16-12-19(27)28-17(16)11-15-4-8-22-20(24-15)25-9-5-14(6-10-25)13-23-18-3-1-2-7-21-18/h1-5,8,15,18,27H,6-7,9-14,16-17H2;5,7,10,15-16,22H,1-4,6,8-9,11-14H2;1-3,6-7,10,13-14,23H,4-5,8-9,11-12H2;1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,21,23)/b23-15-;19-10-;18-10-;17-11-/t;15-,16?;;/m.1../s1
InChIKeyIXXMIGMHYBPMEQ-FRRXBOSOSA-N
XLogP11.07
TPSA339.01 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001671.13
LogP ≤ 511.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione with MolForge

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Related Compounds

(5Z)-5-[[2-[[(3R)-1-(azetidin-2-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(3-cyclohexylpropyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 157070634
Tert-butyl 4-[4-[(3,5-dioxothiolan-2-ylidene)methyl]pyrimidin-2-yl]piperazine-1-carboxylate;5-[[2-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;5-[(2-morpholin-4-ylpyrimidin-4-yl)methylidene]thiolane-2,4-dione;5-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;5-[[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 157979323
(5Z)-5-[[6-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(2-aminoethylamino)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(2-cyclohexylethyl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(methylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[methyl(piperidin-3-ylmethyl)amino]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(3-propylpiperidin-1-yl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 158823878
(5Z)-5-[[2-[4-[(3H-indol-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 158905362
(5Z)-5-[[6-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-(2-aminoethylamino)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[2-(3-aminophenyl)ethyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-(2-cyclohexylethyl)pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[3-(methylamino)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(5-phenylpiperidin-3-yl)methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 160454602
(5Z)-5-[[2-[[(3R)-1-(azetidin-2-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(azetidin-2-yl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(3-cyclohexylpropyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(pyrrolidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(3-pyrrolidin-3-ylpropyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 160475891
(5Z)-5-[[2-[4-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3S)-1-(isoquinolin-3-ylmethyl)piperidin-3-yl]amino]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[3-(6-methyl-2-pyridinyl)propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(3-pyridin-2-ylpropyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(3-pyridin-3-ylpropyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-(3-pyridin-4-ylpropyl)piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 160712888

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione (CID 158838324) is (5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is O=C1CC(=O)/C(=C/c2ccnc(C[C@H]3CCCN(CC4CCCNC4)C3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNc4ccc(N5CCOCC5)cc4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNc4ccccn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CNc4cccnc4)CC3)n2)S1.
What is the InChIKey of (5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
The InChIKey is IXXMIGMHYBPMEQ-FRRXBOSOSA-N. The full InChI is InChI=1S/C25H29N5O3S.C21H28N4O2S.2C20H21N5O2S/c31-22-16-24(32)34-23(22)15-20-5-8-26-25(28-20)30-9-6-18(7-10-30)17-27-19-1-3-21(4-2-19)29-11-13-33-14-12-29;26-18-11-21(27)28-19(18)10-17-5-7-23-20(24-17)9-15-4-2-8-25(13-15)14-16-3-1-6-22-12-16;26-17-11-19(27)28-18(17)10-15-3-7-22-20(24-15)25-8-4-14(5-9-25)12-23-16-2-1-6-21-13-16;26-16-12-19(27)28-17(16)11-15-4-8-22-20(24-15)25-9-5-14(6-10-25)13-23-18-3-1-2-7-21-18/h1-5,8,15,18,27H,6-7,9-14,16-17H2;5,7,10,15-16,22H,1-4,6,8-9,11-14H2;1-3,6-7,10,13-14,23H,4-5,8-9,11-12H2;1-4,7-8,11,14H,5-6,9-10,12-13H2,(H,21,23)/b23-15-;19-10-;18-10-;17-11-/t;15-,16?;;/m.1../s1.
What are the key properties of (5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione?
(5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione has a molecular weight of 1671.13 g/mol, XLogP of 11.07, 21 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[4-[(4-morpholin-4-ylanilino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[(3R)-1-(piperidin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-2-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(pyridin-3-ylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione is sourced from PubChem (CID 158838324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).