(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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine]

C165H165F8N27O14S — CID 158973089

IUPAC(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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine]
SMILESCOc1cc(/C=C2\CC3(CC3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CCOC3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CNC3)CN3C2=NOC3(C)c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(COCCN3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CSC3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CC4(CC4)CN4C3=NOC4(C)c3ccc(F)cc3)c3cnoc23)cn1
InChIInChI=1S/C28H28F3N5O2.C28H30FN5O3.C28H29FN4O3.C27H24FN5O2.C27H27FN4O2S.C27H27FN4O2/c1-18-13-35(17-33-18)23-9-4-19(11-24(23)37-3)10-20-12-27(14-32-15-27)16-36-25(20)34-38-26(36,2)21-5-7-22(8-6-21)28(29,30)31;1-19-15-33(18-30-19)24-9-4-20(13-25(24)35-3)12-21-14-28(17-36-11-10-31-28)16-34-26(21)32-37-27(34,2)22-5-7-23(29)8-6-22;1-19-15-32(18-30-19)24-9-4-20(13-25(24)34-3)12-21-14-28(10-11-35-17-28)16-33-26(21)31-36-27(33,2)22-5-7-23(29)8-6-22;1-17-14-32(16-29-17)23-8-3-18(22-13-30-34-24(22)23)11-19-12-27(9-10-27)15-33-25(19)31-35-26(33,2)20-4-6-21(28)7-5-20;1-18-13-31(17-29-18)23-9-4-19(11-24(23)33-3)10-20-12-27(15-35-16-27)14-32-25(20)30-34-26(32,2)21-5-7-22(28)8-6-21;1-18-15-31(17-29-18)23-9-4-19(13-24(23)33-3)12-20-14-27(10-11-27)16-32-25(20)30-34-26(32,2)21-5-7-22(28)8-6-21/h4-11,13,17,32H,12,14-16H2,1-3H3;4-9,12-13,15,18,31H,10-11,14,16-17H2,1-3H3;4-9,12-13,15,18H,10-11,14,16-17H2,1-3H3;3-8,11,13-14,16H,9-10,12,15H2,1-2H3;4-11,13,17H,12,14-16H2,1-3H3;4-9,12-13,15,17H,10-11,14,16H2,1-3H3/b20-10+;2*21-12+;19-11+;20-10+;20-12+
InChIKeyJOBFOVXHVNLQMB-GKOLMYKBSA-N
MW2934.36 g/mol
LogP30.47
Rot. Bonds23

About (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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine]

(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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine] (PubChem CID 158973089) has the molecular formula C165H165F8N27O14S and a molecular weight of 2934.36 g/mol. Its IUPAC name is (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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine].

Molecular Properties

Compound Name(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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine]
PubChem CID158973089
Molecular FormulaC165H165F8N27O14S
Molecular Weight2934.36 g/mol
Exact Mass2932.26
IUPAC Name(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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine]
SMILESCOc1cc(/C=C2\CC3(CC3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CCOC3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CNC3)CN3C2=NOC3(C)c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(COCCN3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CSC3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CC4(CC4)CN4C3=NOC4(C)c3ccc(F)cc3)c3cnoc23)cn1
InChIInChI=1S/C28H28F3N5O2.C28H30FN5O3.C28H29FN4O3.C27H24FN5O2.C27H27FN4O2S.C27H27FN4O2/c1-18-13-35(17-33-18)23-9-4-19(11-24(23)37-3)10-20-12-27(14-32-15-27)16-36-25(20)34-38-26(36,2)21-5-7-22(8-6-21)28(29,30)31;1-19-15-33(18-30-19)24-9-4-20(13-25(24)35-3)12-21-14-28(17-36-11-10-31-28)16-34-26(21)32-37-27(34,2)22-5-7-23(29)8-6-22;1-19-15-32(18-30-19)24-9-4-20(13-25(24)34-3)12-21-14-28(10-11-35-17-28)16-33-26(21)31-36-27(33,2)22-5-7-23(29)8-6-22;1-17-14-32(16-29-17)23-8-3-18(22-13-30-34-24(22)23)11-19-12-27(9-10-27)15-33-25(19)31-35-26(33,2)20-4-6-21(28)7-5-20;1-18-13-31(17-29-18)23-9-4-19(11-24(23)33-3)10-20-12-27(15-35-16-27)14-32-25(20)30-34-26(32,2)21-5-7-22(28)8-6-21;1-18-15-31(17-29-18)23-9-4-19(13-24(23)33-3)12-20-14-27(10-11-27)16-32-25(20)30-34-26(32,2)21-5-7-22(28)8-6-21/h4-11,13,17,32H,12,14-16H2,1-3H3;4-9,12-13,15,18,31H,10-11,14,16-17H2,1-3H3;4-9,12-13,15,18H,10-11,14,16-17H2,1-3H3;3-8,11,13-14,16H,9-10,12,15H2,1-2H3;4-11,13,17H,12,14-16H2,1-3H3;4-9,12-13,15,17H,10-11,14,16H2,1-3H3/b20-10+;2*21-12+;19-11+;20-10+;20-12+
InChIKeyJOBFOVXHVNLQMB-GKOLMYKBSA-N
XLogP30.47
TPSA370.60 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds23
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002934.36
LogP ≤ 530.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

Analyze (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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine]?
The IUPAC name of (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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine] (CID 158973089) is (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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine].
What is the SMILES notation for (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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine]?
The canonical SMILES for (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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine] is COc1cc(/C=C2\CC3(CC3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CCOC3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CNC3)CN3C2=NOC3(C)c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(COCCN3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC3(CSC3)CN3C2=NOC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CC4(CC4)CN4C3=NOC4(C)c3ccc(F)cc3)c3cnoc23)cn1.
What is the InChIKey of (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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine]?
The InChIKey is JOBFOVXHVNLQMB-GKOLMYKBSA-N. The full InChI is InChI=1S/C28H28F3N5O2.C28H30FN5O3.C28H29FN4O3.C27H24FN5O2.C27H27FN4O2S.C27H27FN4O2/c1-18-13-35(17-33-18)23-9-4-19(11-24(23)37-3)10-20-12-27(14-32-15-27)16-36-25(20)34-38-26(36,2)21-5-7-22(8-6-21)28(29,30)31;1-19-15-33(18-30-19)24-9-4-20(13-25(24)35-3)12-21-14-28(17-36-11-10-31-28)16-34-26(21)32-37-27(34,2)22-5-7-23(29)8-6-22;1-19-15-32(18-30-19)24-9-4-20(13-25(24)34-3)12-21-14-28(10-11-35-17-28)16-33-26(21)31-36-27(33,2)22-5-7-23(29)8-6-22;1-17-14-32(16-29-17)23-8-3-18(22-13-30-34-24(22)23)11-19-12-27(9-10-27)15-33-25(19)31-35-26(33,2)20-4-6-21(28)7-5-20;1-18-13-31(17-29-18)23-9-4-19(11-24(23)33-3)10-20-12-27(15-35-16-27)14-32-25(20)30-34-26(32,2)21-5-7-22(28)8-6-21;1-18-15-31(17-29-18)23-9-4-19(13-24(23)33-3)12-20-14-27(10-11-27)16-32-25(20)30-34-26(32,2)21-5-7-22(28)8-6-21/h4-11,13,17,32H,12,14-16H2,1-3H3;4-9,12-13,15,18,31H,10-11,14,16-17H2,1-3H3;4-9,12-13,15,18H,10-11,14,16-17H2,1-3H3;3-8,11,13-14,16H,9-10,12,15H2,1-2H3;4-11,13,17H,12,14-16H2,1-3H3;4-9,12-13,15,17H,10-11,14,16H2,1-3H3/b20-10+;2*21-12+;19-11+;20-10+;20-12+.
What are the key properties of (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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine]?
(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-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine] has a molecular weight of 2934.36 g/mol, XLogP of 30.47, 23 rotatable bonds, 2 hydrogen bond donors, and 42 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]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(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'-morpholine];(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'-oxolane];(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];(8E)-3-(4-fluorophenyl)-3-methyl-8-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane];(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-[4-(trifluoromethyl)phenyl]spiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,3'-azetidine] is sourced from PubChem (CID 158973089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).