(9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one

C149H174F2N26O13 — CID 159222773

IUPAC(9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one
SMILESCCC1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.CCN(C)CC1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.COc1cc(/C=C2\CCCN3C2=NOC(C)(C)C3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOCC3CCc2ccccc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOCC3CN2CCCC2=O)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3CC(c4cc(C)c(F)c(F)c4)ON=C23)ccc1-n1cnc(C)c1
InChIInChI=1S/C28H32N4O2.C27H30N4O2.C26H26F2N4O2.C24H29N5O3.C23H31N5O2.C21H26N4O2/c1-19-8-11-22(12-9-19)26-28(3,4)34-30-27-23(7-6-14-32(26)27)15-21-10-13-24(25(16-21)33-5)31-17-20(2)29-18-31;1-20-17-30(19-28-20)25-13-11-22(16-26(25)32-2)15-23-9-6-14-31-24(18-33-29-27(23)31)12-10-21-7-4-3-5-8-21;1-16-9-20(12-21(27)25(16)28)24-14-31-8-4-5-19(26(31)30-34-24)10-18-6-7-22(23(11-18)33-3)32-13-17(2)29-15-32;1-17-13-28(16-25-17)21-8-7-18(12-22(21)31-2)11-19-5-3-10-29-20(15-32-26-24(19)29)14-27-9-4-6-23(27)30;1-5-26(3)14-20-15-30-25-23-19(7-6-10-28(20)23)11-18-8-9-21(22(12-18)29-4)27-13-17(2)24-16-27;1-4-18-13-27-23-21-17(6-5-9-25(18)21)10-16-7-8-19(20(11-16)26-3)24-12-15(2)22-14-24/h8-13,15-18,26H,6-7,14H2,1-5H3;3-5,7-8,11,13,15-17,19,24H,6,9-10,12,14,18H2,1-2H3;6-7,9-13,15,24H,4-5,8,14H2,1-3H3;7-8,11-13,16,20H,3-6,9-10,14-15H2,1-2H3;8-9,11-13,16,20H,5-7,10,14-15H2,1-4H3;7-8,10-12,14,18H,4-6,9,13H2,1-3H3/b2*23-15+;19-10+;2*19-11+;17-10+
InChIKeyKRXFGEAWPGXUCU-BEQJHURJSA-N
MW2575.20 g/mol
LogP26.32
Rot. Bonds29

About (9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one

(9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 159222773) has the molecular formula C149H174F2N26O13 and a molecular weight of 2575.20 g/mol. Its IUPAC name is (9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one
PubChem CID159222773
Molecular FormulaC149H174F2N26O13
Molecular Weight2575.20 g/mol
Exact Mass2573.37
IUPAC Name(9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one
SMILESCCC1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.CCN(C)CC1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.COc1cc(/C=C2\CCCN3C2=NOC(C)(C)C3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOCC3CCc2ccccc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOCC3CN2CCCC2=O)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3CC(c4cc(C)c(F)c(F)c4)ON=C23)ccc1-n1cnc(C)c1
InChIInChI=1S/C28H32N4O2.C27H30N4O2.C26H26F2N4O2.C24H29N5O3.C23H31N5O2.C21H26N4O2/c1-19-8-11-22(12-9-19)26-28(3,4)34-30-27-23(7-6-14-32(26)27)15-21-10-13-24(25(16-21)33-5)31-17-20(2)29-18-31;1-20-17-30(19-28-20)25-13-11-22(16-26(25)32-2)15-23-9-6-14-31-24(18-33-29-27(23)31)12-10-21-7-4-3-5-8-21;1-16-9-20(12-21(27)25(16)28)24-14-31-8-4-5-19(26(31)30-34-24)10-18-6-7-22(23(11-18)33-3)32-13-17(2)29-15-32;1-17-13-28(16-25-17)21-8-7-18(12-22(21)31-2)11-19-5-3-10-29-20(15-32-26-24(19)29)14-27-9-4-6-23(27)30;1-5-26(3)14-20-15-30-25-23-19(7-6-10-28(20)23)11-18-8-9-21(22(12-18)29-4)27-13-17(2)24-16-27;1-4-18-13-27-23-21-17(6-5-9-25(18)21)10-16-7-8-19(20(11-16)26-3)24-12-15(2)22-14-24/h8-13,15-18,26H,6-7,14H2,1-5H3;3-5,7-8,11,13,15-17,19,24H,6,9-10,12,14,18H2,1-2H3;6-7,9-13,15,24H,4-5,8,14H2,1-3H3;7-8,11-13,16,20H,3-6,9-10,14-15H2,1-2H3;8-9,11-13,16,20H,5-7,10,14-15H2,1-4H3;7-8,10-12,14,18H,4-6,9,13H2,1-3H3/b2*23-15+;19-10+;2*19-11+;17-10+
InChIKeyKRXFGEAWPGXUCU-BEQJHURJSA-N
XLogP26.32
TPSA334.83 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds29
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002575.20
LogP ≤ 526.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze (9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(8E)-3-[4-(1,1-difluoroethyl)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;[(8E)-3-(2-fluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;methyl (8E)-3-(2-fluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylate
CID 157310396
(4S,9E)-4-[(2S)-butan-2-yl]-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;bis((9E)-4-(1,1-difluoroethyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine);(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-[(2-methylidenepiperidin-1-yl)methyl]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-[(2-methylidenepyrrolidin-1-yl)methyl]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-methylpropyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine
CID 158738745
(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;ethyl (8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylate;bis((8E)-3-(4-fluoro-3-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine);(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-3-(trifluoromethyl)-6,7-dihydro-5H-[1,3]oxazolo[3,4-a]pyridine
CID 158994989
(8E)-3-[4-(1,1-difluoroethoxy)phenyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-3-(3,5-difluoro-4-methylphenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(6R,8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;(7E)-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-5,6-dihydropyrrolo[2,1-c][1,2,4]oxadiazole
CID 159047648
(4S,9E)-4-cyclobutyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[2-iodo-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;bis((9E)-4-(2,2-difluoropropyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine);(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-propan-2-yl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;2-[[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]indene-1,3-dione
CID 160096232
CID 161512387
CID 161512387
5-[8-(4-acetylpiperazin-1-yl)-2-benzyl-5-methylimidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one;5-[8-(4-acetylpiperazin-1-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]-1,3-dihydroindol-2-one;6-[2-(4-fluorophenyl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl]-3H-1,3-benzoxazol-2-one
CID 122656021
(7E)-5-[1-(4-fluorophenyl)ethyl]-7-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pyrrolo[2,3-b]pyrazin-6-one;(3E)-1-[1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one
CID 143760316
ethane;(9E)-4-(3-fluoro-4,5-dimethylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;[(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazin-4-yl]methanamine
CID 145530597
(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one
CID 145530630
methane;(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine;[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;[(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-[2-(pentafluoro-lambda6-sulfanyl)phenyl]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;bis([(8E)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol)
CID 157072824
8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one;6-(4-fluorophenyl)-1-(4-methoxybutyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6-methyl-5H-pyrimidin-4-one;5-(4-fluorophenyl)-1-(2-methoxyethyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5-methylimidazol-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,6-dimethyl-5H-pyrimidin-4-one;6-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-(3-methoxypropyl)pyrimidin-4-one
CID 157163358

Frequently Asked Questions

What is the IUPAC name of (9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of (9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one (CID 159222773) is (9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for (9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one is CCC1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.CCN(C)CC1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.COc1cc(/C=C2\CCCN3C2=NOC(C)(C)C3c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOCC3CCc2ccccc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOCC3CN2CCCC2=O)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3CC(c4cc(C)c(F)c(F)c4)ON=C23)ccc1-n1cnc(C)c1.
What is the InChIKey of (9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is KRXFGEAWPGXUCU-BEQJHURJSA-N. The full InChI is InChI=1S/C28H32N4O2.C27H30N4O2.C26H26F2N4O2.C24H29N5O3.C23H31N5O2.C21H26N4O2/c1-19-8-11-22(12-9-19)26-28(3,4)34-30-27-23(7-6-14-32(26)27)15-21-10-13-24(25(16-21)33-5)31-17-20(2)29-18-31;1-20-17-30(19-28-20)25-13-11-22(16-26(25)32-2)15-23-9-6-14-31-24(18-33-29-27(23)31)12-10-21-7-4-3-5-8-21;1-16-9-20(12-21(27)25(16)28)24-14-31-8-4-5-19(26(31)30-34-24)10-18-6-7-22(23(11-18)33-3)32-13-17(2)29-15-32;1-17-13-28(16-25-17)21-8-7-18(12-22(21)31-2)11-19-5-3-10-29-20(15-32-26-24(19)29)14-27-9-4-6-23(27)30;1-5-26(3)14-20-15-30-25-23-19(7-6-10-28(20)23)11-18-8-9-21(22(12-18)29-4)27-13-17(2)24-16-27;1-4-18-13-27-23-21-17(6-5-9-25(18)21)10-16-7-8-19(20(11-16)26-3)24-12-15(2)22-14-24/h8-13,15-18,26H,6-7,14H2,1-5H3;3-5,7-8,11,13,15-17,19,24H,6,9-10,12,14,18H2,1-2H3;6-7,9-13,15,24H,4-5,8,14H2,1-3H3;7-8,11-13,16,20H,3-6,9-10,14-15H2,1-2H3;8-9,11-13,16,20H,5-7,10,14-15H2,1-4H3;7-8,10-12,14,18H,4-6,9,13H2,1-3H3/b2*23-15+;19-10+;2*19-11+;17-10+.
What are the key properties of (9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one?
(9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 2575.20 g/mol, XLogP of 26.32, 29 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-3-(3,4-difluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-4-ethyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,3-dimethyl-4-(4-methylphenyl)-4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(2-phenylethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;N-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]-N-methylethanamine;1-[[(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 159222773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).