(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

C188H199N35O16S8 — CID 160712888

About (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

(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 (PubChem CID 160712888) has the molecular formula C188H199N35O16S8 and a molecular weight of 3461.42 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 160712888
• Molecular Formula: C188H199N35O16S8
• Molecular Weight: 3461.42 g/mol
• Exact Mass: 3458.36
• IUPAC Name: (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
• SMILES: Cc1cccc(CCCC2CCN(c3nccc(/C=C4\SC(=O)CC4=O)n3)CC2)n1.Cc1cccc(CN(Cc2cccc(C)n2)CC2CCN(c3nccc(/C=C4\SC(=O)CC4=O)n3)CC2)n1.O=C1CC(=O)/C(=C/c2ccnc(C[C@H]3CCCN(Cc4ccc5ccccc5n4)C3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(C[C@H]3CCCN(Cc4ccccn4)C3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccccn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccnc4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccncc4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N[C@H]3CCCN(Cc4cc5ccccc5cn4)C3)n2)S1
• InChI: InChI=1S/C29H32N6O2S.C25H24N4O2S.C24H23N5O2S.C23H26N4O2S.3C22H24N4O2S.C21H22N4O2S/c1-20-5-3-7-24(31-20)18-34(19-25-8-4-6-21(2)32-25)17-22-10-13-35(14-11-22)29-30-12-9-23(33-29)15-27-26(36)16-28(37)38-27;30-22-14-25(31)32-23(22)13-19-9-10-26-24(28-19)12-17-4-3-11-29(15-17)16-20-8-7-18-5-1-2-6-21(18)27-20;30-21-12-23(31)32-22(21)11-18-7-8-25-24(27-18)28-19-6-3-9-29(14-19)15-20-10-16-4-1-2-5-17(16)13-26-20;1-16-4-2-6-18(25-16)7-3-5-17-9-12-27(13-10-17)23-24-11-8-19(26-23)14-21-20(28)15-22(29)30-21;27-19-14-21(28)29-20(19)13-18-6-10-24-22(25-18)26-11-7-16(8-12-26)3-1-4-17-5-2-9-23-15-17;27-19-15-21(28)29-20(19)14-18-7-11-24-22(25-18)26-12-8-16(9-13-26)4-3-6-17-5-1-2-10-23-17;27-19-15-21(28)29-20(19)14-18-6-11-24-22(25-18)26-12-7-17(8-13-26)3-1-2-16-4-9-23-10-5-16;26-18-12-21(27)28-19(18)11-16-6-8-23-20(24-16)10-15-4-3-9-25(13-15)14-17-5-1-2-7-22-17/h3-9,12,15,22H,10-11,13-14,16-19H2,1-2H3;1-2,5-10,13,17H,3-4,11-12,14-16H2;1-2,4-5,7-8,10-11,13,19H,3,6,9,12,14-15H2,(H,25,27,28);2,4,6,8,11,14,17H,3,5,7,9-10,12-13,15H2,1H3;2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12,14H2;1-2,5,7,10-11,14,16H,3-4,6,8-9,12-13,15H2;4-6,9-11,14,17H,1-3,7-8,12-13,15H2;1-2,5-8,11,15H,3-4,9-10,12-14H2/b27-15-;23-13-;22-11-;21-14-;20-13-;2*20-14-;19-11-/t;17-;19-;;;;;15-/m.10....1/s1
• InChIKey: RSCCDODSXOPULQ-PJEIVHCUSA-N
• XLogP: 30.05
• TPSA: 636.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 59
• Rotatable Bonds: 47
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3461.42
LogP ≤ 5	30.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	59

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'}

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is Cc1cccc(CCCC2CCN(c3nccc(/C=C4\SC(=O)CC4=O)n3)CC2)n1.Cc1cccc(CN(Cc2cccc(C)n2)CC2CCN(c3nccc(/C=C4\SC(=O)CC4=O)n3)CC2)n1.O=C1CC(=O)/C(=C/c2ccnc(C[C@H]3CCCN(Cc4ccc5ccccc5n4)C3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(C[C@H]3CCCN(Cc4ccccn4)C3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccccn4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4cccnc4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N3CCC(CCCc4ccncc4)CC3)n2)S1.O=C1CC(=O)/C(=C/c2ccnc(N[C@H]3CCCN(Cc4cc5ccccc5cn4)C3)n2)S1.

What is the InChIKey of (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?

The InChIKey is RSCCDODSXOPULQ-PJEIVHCUSA-N. The full InChI is InChI=1S/C29H32N6O2S.C25H24N4O2S.C24H23N5O2S.C23H26N4O2S.3C22H24N4O2S.C21H22N4O2S/c1-20-5-3-7-24(31-20)18-34(19-25-8-4-6-21(2)32-25)17-22-10-13-35(14-11-22)29-30-12-9-23(33-29)15-27-26(36)16-28(37)38-27;30-22-14-25(31)32-23(22)13-19-9-10-26-24(28-19)12-17-4-3-11-29(15-17)16-20-8-7-18-5-1-2-6-21(18)27-20;30-21-12-23(31)32-22(21)11-18-7-8-25-24(27-18)28-19-6-3-9-29(14-19)15-20-10-16-4-1-2-5-17(16)13-26-20;1-16-4-2-6-18(25-16)7-3-5-17-9-12-27(13-10-17)23-24-11-8-19(26-23)14-21-20(28)15-22(29)30-21;27-19-14-21(28)29-20(19)13-18-6-10-24-22(25-18)26-11-7-16(8-12-26)3-1-4-17-5-2-9-23-15-17;27-19-15-21(28)29-20(19)14-18-7-11-24-22(25-18)26-12-8-16(9-13-26)4-3-6-17-5-1-2-10-23-17;27-19-15-21(28)29-20(19)14-18-6-11-24-22(25-18)26-12-7-17(8-13-26)3-1-2-16-4-9-23-10-5-16;26-18-12-21(27)28-19(18)11-16-6-8-23-20(24-16)10-15-4-3-9-25(13-15)14-17-5-1-2-7-22-17/h3-9,12,15,22H,10-11,13-14,16-19H2,1-2H3;1-2,5-10,13,17H,3-4,11-12,14-16H2;1-2,4-5,7-8,10-11,13,19H,3,6,9,12,14-15H2,(H,25,27,28);2,4,6,8,11,14,17H,3,5,7,9-10,12-13,15H2,1H3;2,5-6,9-10,13,15-16H,1,3-4,7-8,11-12,14H2;1-2,5,7,10-11,14,16H,3-4,6,8-9,12-13,15H2;4-6,9-11,14,17H,1-3,7-8,12-13,15H2;1-2,5-8,11,15H,3-4,9-10,12-14H2/b27-15-;23-13-;22-11-;21-14-;20-13-;2*20-14-;19-11-/t;17-;19-;;;;;15-/m.10....1/s1.

What are the key properties of (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?

(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 has a molecular weight of 3461.42 g/mol, XLogP of 30.05, 47 rotatable bonds, 1 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 160712888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).