About (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-oxane];(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-7,2'-oxetane];(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-7,2'-oxolane];(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];(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-[4-(trifluoromethyl)phenyl]spiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-azetidine]
(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-oxane];(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-7,2'-oxetane];(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-7,2'-oxolane];(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];(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-[4-(trifluoromethyl)phenyl]spiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-azetidine] (PubChem CID 158349927) has the molecular formula C146H156F7N21O8S
and a molecular weight of 2498.05 g/mol. Its IUPAC name is (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-oxane];(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-7,2'-oxetane];(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-7,2'-oxolane];(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];(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-[4-(trifluoromethyl)phenyl]spiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-azetidine].
Frequently Asked Questions
What is the IUPAC name of (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-oxane];(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-7,2'-oxetane];(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-7,2'-oxolane];(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];(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-[4-(trifluoromethyl)phenyl]spiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-azetidine]?
The IUPAC name of (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-oxane];(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-7,2'-oxetane];(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-7,2'-oxolane];(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];(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-[4-(trifluoromethyl)phenyl]spiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-azetidine] (CID 158349927) is (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-oxane];(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-7,2'-oxetane];(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-7,2'-oxolane];(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];(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-[4-(trifluoromethyl)phenyl]spiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-azetidine].
What is the SMILES notation for (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-oxane];(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-7,2'-oxetane];(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-7,2'-oxolane];(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];(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-[4-(trifluoromethyl)phenyl]spiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-azetidine]?
The canonical SMILES for (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-oxane];(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-7,2'-oxetane];(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-7,2'-oxolane];(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];(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-[4-(trifluoromethyl)phenyl]spiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-azetidine] is COc1cc(/C=C2\CC3(CCCO3)CN3C2=NCCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CCCOC3)CN3C2=NCCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CCO3)CN3C2=NCCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CNC3)CN3C2=NCCC3(C)c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CSC3)CN3C2=NCCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-oxane];(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-7,2'-oxetane];(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-7,2'-oxolane];(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];(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-[4-(trifluoromethyl)phenyl]spiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-azetidine]?
The InChIKey is GSEMUMQKFUOJPU-MOFZVRIZSA-N. The full InChI is InChI=1S/C31H35FN4O2.C30H32F3N5O.C29H31FN4O2.C28H29FN4O2.C28H29FN4OS/c1-22-18-35(21-34-22)27-10-5-23(16-28(27)37-3)15-24-17-31(11-4-14-38-20-31)19-36-29(24)33-13-12-30(36,2)25-6-8-26(32)9-7-25;1-20-15-37(19-36-20)25-9-4-21(13-26(25)39-3)12-22-14-29(16-34-17-29)18-38-27(22)35-11-10-28(38,2)23-5-7-24(8-6-23)30(31,32)33;1-20-17-33(19-32-20)26-9-4-21(15-27(26)35-2)14-23-16-29(11-3-13-36-29)18-34-25(10-12-31-28(23)34)22-5-7-24(30)8-6-22;1-19-16-32(18-31-19)25-8-3-20(14-26(25)34-2)13-22-15-28(10-12-35-28)17-33-24(9-11-30-27(22)33)21-4-6-23(29)7-5-21;1-19-14-32(18-31-19)25-8-3-20(12-26(25)34-2)11-22-13-28(16-35-17-28)15-33-24(9-10-30-27(22)33)21-4-6-23(29)7-5-21/h5-10,15-16,18,21H,4,11-14,17,19-20H2,1-3H3;4-9,12-13,15,19,34H,10-11,14,16-18H2,1-3H3;4-9,14-15,17,19,25H,3,10-13,16,18H2,1-2H3;3-8,13-14,16,18,24H,9-12,15,17H2,1-2H3;3-8,11-12,14,18,24H,9-10,13,15-17H2,1-2H3/b24-15+;22-12+;23-14+;22-13+;22-11+.
What are the key properties of (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-oxane];(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-7,2'-oxetane];(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-7,2'-oxolane];(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];(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-[4-(trifluoromethyl)phenyl]spiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-azetidine]?
(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-oxane];(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-7,2'-oxetane];(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-7,2'-oxolane];(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];(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-[4-(trifluoromethyl)phenyl]spiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-azetidine] has a molecular weight of 2498.05 g/mol, XLogP of 27.86, 20 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-oxane];(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-7,2'-oxetane];(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-7,2'-oxolane];(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];(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-4-[4-(trifluoromethyl)phenyl]spiro[2,3,6,8-tetrahydropyrido[1,2-a]pyrimidine-7,3'-azetidine] is sourced from PubChem (CID 158349927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).