(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

C132H138F4N20O14 — CID 157310396

IUPAC(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
SMILESCOC(=O)C1(c2ccc(C)cc2F)ON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.COc1cc(/C=C2\CCCN3C2=NOC3(C)c2ccc(C(C)(F)F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(C)c2cccc(C)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(CO)c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(CO)c2ccc(C)cc2F)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H28F2N4O2.C27H27FN4O4.C26H27FN4O3.C26H28N4O3.C26H28N4O2/c1-18-16-32(17-30-18)23-12-7-19(15-24(23)34-4)14-20-6-5-13-33-25(20)31-35-27(33,3)22-10-8-21(9-11-22)26(2,28)29;1-17-7-9-21(22(28)12-17)27(26(33)35-4)32-11-5-6-20(25(32)30-36-27)13-19-8-10-23(24(14-19)34-3)31-15-18(2)29-16-31;1-17-6-8-21(22(27)11-17)26(15-32)31-10-4-5-20(25(31)29-34-26)12-19-7-9-23(24(13-19)33-3)30-14-18(2)28-16-30;1-18-6-9-22(10-7-18)26(16-31)30-12-4-5-21(25(30)28-33-26)13-20-8-11-23(24(14-20)32-3)29-15-19(2)27-17-29;1-18-7-5-9-22(13-18)26(3)30-12-6-8-21(25(30)28-32-26)14-20-10-11-23(24(15-20)31-4)29-16-19(2)27-17-29/h7-12,14-17H,5-6,13H2,1-4H3;7-10,12-16H,5-6,11H2,1-4H3;6-9,11-14,16,32H,4-5,10,15H2,1-3H3;6-11,13-15,17,31H,4-5,12,16H2,1-3H3;5,7,9-11,13-17H,6,8,12H2,1-4H3/b20-14+;20-13+;20-12+;21-13+;21-14+
InChIKeyBCYYSBSJACRGRE-WOFZPMQTSA-N
MW2304.67 g/mol
LogP24.15
Rot. Bonds24

About (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

(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 (PubChem CID 157310396) has the molecular formula C132H138F4N20O14 and a molecular weight of 2304.67 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID157310396
Molecular FormulaC132H138F4N20O14
Molecular Weight2304.67 g/mol
Exact Mass2303.06
IUPAC Name(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
SMILESCOC(=O)C1(c2ccc(C)cc2F)ON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.COc1cc(/C=C2\CCCN3C2=NOC3(C)c2ccc(C(C)(F)F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(C)c2cccc(C)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(CO)c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(CO)c2ccc(C)cc2F)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H28F2N4O2.C27H27FN4O4.C26H27FN4O3.C26H28N4O3.C26H28N4O2/c1-18-16-32(17-30-18)23-12-7-19(15-24(23)34-4)14-20-6-5-13-33-25(20)31-35-27(33,3)22-10-8-21(9-11-22)26(2,28)29;1-17-7-9-21(22(28)12-17)27(26(33)35-4)32-11-5-6-20(25(32)30-36-27)13-19-8-10-23(24(14-19)34-3)31-15-18(2)29-16-31;1-17-6-8-21(22(27)11-17)26(15-32)31-10-4-5-20(25(31)29-34-26)12-19-7-9-23(24(13-19)33-3)30-14-18(2)28-16-30;1-18-6-9-22(10-7-18)26(16-31)30-12-4-5-21(25(30)28-33-26)13-20-8-11-23(24(14-20)32-3)29-15-19(2)27-17-29;1-18-7-5-9-22(13-18)26(3)30-12-6-8-21(25(30)28-32-26)14-20-10-11-23(24(15-20)31-4)29-16-19(2)27-17-29/h7-12,14-17H,5-6,13H2,1-4H3;7-10,12-16H,5-6,11H2,1-4H3;6-9,11-14,16,32H,4-5,10,15H2,1-3H3;6-11,13-15,17,31H,4-5,12,16H2,1-3H3;5,7,9-11,13-17H,6,8,12H2,1-4H3/b20-14+;20-13+;20-12+;21-13+;21-14+
InChIKeyBCYYSBSJACRGRE-WOFZPMQTSA-N
XLogP24.15
TPSA326.16 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002304.67
LogP ≤ 524.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Analyze (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 with MolForge

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Related Compounds

6-[2-(2-Ethoxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-fluoro-3,4-dimethylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(2-phenylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-propan-2-yloxyphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 157933949
(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
[(3R,8E)-6,6-difluoro-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]methanol;ethyl (3R)-8-diethoxyphosphoryl-6,6-difluoro-3-(4-fluorophenyl)-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylate;ethyl (3R)-8-diethoxyphosphoryl-3-(4-fluorophenyl)-6-oxo-7,8-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylate;ethyl (3R,8E)-6,6-difluoro-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboxylate
CID 160861187
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
(9E)-4-(3,4-difluoro-5-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;4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3,4,6,7,8,9-hexahydropyrido[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;(3-fluoro-5-methylphenyl)-[(9E)-9-[[4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-3-yl]methanol;(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;[(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]-(4-methylphenyl)methanol
CID 157176821
bis((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);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-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 157181948
(3S,6E,8aR)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3,4,5-trifluorophenyl)-1,2,3,7,8,8a-hexahydroindolizin-5-one;(3S,6E,8aS)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3,4,5-trifluorophenyl)-1,2,3,7,8,8a-hexahydroindolizin-5-one;(3R,6E,8aR)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3,4,5-trifluorophenyl)-1,2,3,7,8,8a-hexahydroindolizin-5-one;(3R,6E,8aS)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3,4,5-trifluorophenyl)-1,2,3,7,8,8a-hexahydroindolizin-5-one
CID 157326166
Tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-methyl-5-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;methane;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;methyl 2,3-dimethylbutanoate;1-(5-methylhexyl)imidazole;1-(7-methyloctyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene
CID 157352297

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COC(=O)C1(c2ccc(C)cc2F)ON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.COc1cc(/C=C2\CCCN3C2=NOC3(C)c2ccc(C(C)(F)F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(C)c2cccc(C)c2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(CO)c2ccc(C)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC3(CO)c2ccc(C)cc2F)ccc1-n1cnc(C)c1.
What is the InChIKey of (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?
The InChIKey is BCYYSBSJACRGRE-WOFZPMQTSA-N. The full InChI is InChI=1S/C27H28F2N4O2.C27H27FN4O4.C26H27FN4O3.C26H28N4O3.C26H28N4O2/c1-18-16-32(17-30-18)23-12-7-19(15-24(23)34-4)14-20-6-5-13-33-25(20)31-35-27(33,3)22-10-8-21(9-11-22)26(2,28)29;1-17-7-9-21(22(28)12-17)27(26(33)35-4)32-11-5-6-20(25(32)30-36-27)13-19-8-10-23(24(14-19)34-3)31-15-18(2)29-16-31;1-17-6-8-21(22(27)11-17)26(15-32)31-10-4-5-20(25(31)29-34-26)12-19-7-9-23(24(13-19)33-3)30-14-18(2)28-16-30;1-18-6-9-22(10-7-18)26(16-31)30-12-4-5-21(25(30)28-33-26)13-20-8-11-23(24(14-20)32-3)29-15-19(2)27-17-29;1-18-7-5-9-22(13-18)26(3)30-12-6-8-21(25(30)28-32-26)14-20-10-11-23(24(15-20)31-4)29-16-19(2)27-17-29/h7-12,14-17H,5-6,13H2,1-4H3;7-10,12-16H,5-6,11H2,1-4H3;6-9,11-14,16,32H,4-5,10,15H2,1-3H3;6-11,13-15,17,31H,4-5,12,16H2,1-3H3;5,7,9-11,13-17H,6,8,12H2,1-4H3/b20-14+;20-13+;20-12+;21-13+;21-14+.
What are the key properties of (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?
(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 has a molecular weight of 2304.67 g/mol, XLogP of 24.15, 24 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 157310396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).