About [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thiolane]-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane]-4-yl]methanol;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thiolane] 1',1'-dioxide
[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thiolane]-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane]-4-yl]methanol;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thiolane] 1',1'-dioxide (PubChem CID 162130818) has the molecular formula C141H145F5N20O20S5
and a molecular weight of 2695.16 g/mol. Its IUPAC name is [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thiolane]-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane]-4-yl]methanol;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thiolane] 1',1'-dioxide.
Frequently Asked Questions
What is the IUPAC name of [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thiolane]-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane]-4-yl]methanol;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thiolane] 1',1'-dioxide?
The IUPAC name of [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thiolane]-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane]-4-yl]methanol;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thiolane] 1',1'-dioxide (CID 162130818) is [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thiolane]-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane]-4-yl]methanol;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thiolane] 1',1'-dioxide.
What is the SMILES notation for [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thiolane]-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane]-4-yl]methanol;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thiolane] 1',1'-dioxide?
The canonical SMILES for [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thiolane]-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane]-4-yl]methanol;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thiolane] 1',1'-dioxide is COc1cc(/C=C2\CC3(CCS(=O)(=O)C3)CN3C2=NOC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CN4C2=NCCC4c2ccc(F)cc2)CS(=O)(=O)C3)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CN4C2=NOC4(C)c2ccc(F)cc2)CS(=O)(=O)C3)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CN4C2=NOCC4(CO)c2ccc(F)cc2)CS(=O)(=O)C3)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CC4(CCS(=O)(=O)C4)CN4C3=NCCC4c3ccc(F)cc3)c3c2OCC3)cn1.
What is the InChIKey of [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thiolane]-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane]-4-yl]methanol;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thiolane] 1',1'-dioxide?
The InChIKey is ZIQICQXMUHRMGT-DJYMUDBBSA-N. The full InChI is InChI=1S/C30H31FN4O3S.2C28H29FN4O5S.C28H29FN4O3S.C27H27FN4O4S/c1-20-16-34(19-33-20)27-7-4-22(25-9-12-38-28(25)27)14-23-15-30(10-13-39(36,37)18-30)17-35-26(8-11-32-29(23)35)21-2-5-24(31)6-3-21;1-19-12-32(18-30-19)24-8-3-20(10-25(24)37-2)9-21-11-27(16-39(35,36)17-27)13-33-26(21)31-38-15-28(33,14-34)22-4-6-23(29)7-5-22;1-19-14-32(18-30-19)24-8-3-20(12-25(24)37-2)11-21-13-27(9-10-39(35,36)17-27)15-33-26(21)31-38-28(33,16-34)22-4-6-23(29)7-5-22;1-19-14-32(18-31-19)25-8-3-20(12-26(25)36-2)11-22-13-28(16-37(34,35)17-28)15-33-24(9-10-30-27(22)33)21-4-6-23(29)7-5-21;1-18-13-31(17-29-18)23-9-4-19(11-24(23)35-3)10-20-12-27(15-37(33,34)16-27)14-32-25(20)30-36-26(32,2)21-5-7-22(28)8-6-21/h2-7,14,16,19,26H,8-13,15,17-18H2,1H3;3-10,12,18,34H,11,13-17H2,1-2H3;3-8,11-12,14,18,34H,9-10,13,15-17H2,1-2H3;3-8,11-12,14,18,24H,9-10,13,15-17H2,1-2H3;4-11,13,17H,12,14-16H2,1-3H3/b23-14+;21-9+;21-11+;22-11+;20-10+.
What are the key properties of [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thiolane]-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane]-4-yl]methanol;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thiolane] 1',1'-dioxide?
[(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thiolane]-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane]-4-yl]methanol;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thiolane] 1',1'-dioxide has a molecular weight of 2695.16 g/mol, XLogP of 19.59, 21 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thiolane]-3-yl]methanol;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-1',1'-dioxospiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,3'-thietane]-4-yl]methanol;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thietane] 1',1'-dioxide;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]methylidene]spiro[3,4,6,8-tetrahydro-2H-pyrido[1,2-a]pyrimidine-7,3'-thiolane] 1',1'-dioxide is sourced from PubChem (CID 162130818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).