(5Z)-5-[[2-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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

C170H164F2N36O16S7 — CID 161274672

IUPAC(5Z)-5-[[2-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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
SMILESCOc1cccc2ccc(CN[C@@H]3CCCN(c4nccc(/C=C5\SC(=O)CC5=O)n4)C3)nc12.COc1cccc2ccc(CN[C@H]3CCCN(c4nccc(/C=C5\SC(=O)CC5=O)n4)C3)nc12.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.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/2C25H25N5O3S.2C24H22FN5O2S.C24H24N6O2S.2C24H23N5O2S/c2*1-33-21-6-2-4-16-7-8-18(28-24(16)21)14-27-19-5-3-11-30(15-19)25-26-10-9-17(29-25)12-22-20(31)13-23(32)34-22;2*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;2*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/h2*2,4,6-10,12,19,27H,3,5,11,13-15H2,1H3;2*3-8,10-11,19,27H,1-2,9,12-14H2;1-5,8-9,12,16,25H,6-7,10-11,13-15H2;2*1-2,4,6-10,12,19,26H,3,5,11,13-15H2/b2*22-12-;2*22-11-;21-12-;2*22-12-/t4*19-;;2*19-/m1010.10/s1
InChIKeyVEGVZTYYAJDCRN-JLNAAHNSSA-N
MW3229.88 g/mol
LogP23.44
Rot. Bonds38

About (5Z)-5-[[2-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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 161274672) has the molecular formula C170H164F2N36O16S7 and a molecular weight of 3229.88 g/mol. Its IUPAC name is (5Z)-5-[[2-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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 CID161274672
Molecular FormulaC170H164F2N36O16S7
Molecular Weight3229.88 g/mol
Exact Mass3227.11
IUPAC Name(5Z)-5-[[2-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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
SMILESCOc1cccc2ccc(CN[C@@H]3CCCN(c4nccc(/C=C5\SC(=O)CC5=O)n4)C3)nc12.COc1cccc2ccc(CN[C@H]3CCCN(c4nccc(/C=C5\SC(=O)CC5=O)n4)C3)nc12.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.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/2C25H25N5O3S.2C24H22FN5O2S.C24H24N6O2S.2C24H23N5O2S/c2*1-33-21-6-2-4-16-7-8-18(28-24(16)21)14-27-19-5-3-11-30(15-19)25-26-10-9-17(29-25)12-22-20(31)13-23(32)34-22;2*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;2*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/h2*2,4,6-10,12,19,27H,3,5,11,13-15H2,1H3;2*3-8,10-11,19,27H,1-2,9,12-14H2;1-5,8-9,12,16,25H,6-7,10-11,13-15H2;2*1-2,4,6-10,12,19,26H,3,5,11,13-15H2/b2*22-12-;2*22-11-;21-12-;2*22-12-/t4*19-;;2*19-/m1010.10/s1
InChIKeyVEGVZTYYAJDCRN-JLNAAHNSSA-N
XLogP23.44
TPSA647.91 Ų
H-Bond Donors7
H-Bond Acceptors59
Rotatable Bonds38
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003229.88
LogP ≤ 523.44
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1059

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-[[2-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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 161274672) is (5Z)-5-[[2-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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 COc1cccc2ccc(CN[C@@H]3CCCN(c4nccc(/C=C5\SC(=O)CC5=O)n4)C3)nc12.COc1cccc2ccc(CN[C@H]3CCCN(c4nccc(/C=C5\SC(=O)CC5=O)n4)C3)nc12.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.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-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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 VEGVZTYYAJDCRN-JLNAAHNSSA-N. The full InChI is InChI=1S/2C25H25N5O3S.2C24H22FN5O2S.C24H24N6O2S.2C24H23N5O2S/c2*1-33-21-6-2-4-16-7-8-18(28-24(16)21)14-27-19-5-3-11-30(15-19)25-26-10-9-17(29-25)12-22-20(31)13-23(32)34-22;2*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;2*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/h2*2,4,6-10,12,19,27H,3,5,11,13-15H2,1H3;2*3-8,10-11,19,27H,1-2,9,12-14H2;1-5,8-9,12,16,25H,6-7,10-11,13-15H2;2*1-2,4,6-10,12,19,26H,3,5,11,13-15H2/b2*22-12-;2*22-11-;21-12-;2*22-12-/t4*19-;;2*19-/m1010.10/s1.
What are the key properties of (5Z)-5-[[2-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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 3229.88 g/mol, XLogP of 23.44, 38 rotatable bonds, 7 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[(3R)-3-[(6-fluoroquinolin-2-yl)methylamino]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)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[(1,8-naphthyridin-2-ylmethylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[(3R)-3-(quinolin-2-ylmethylamino)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 161274672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).