8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one

C130H127F5N22O12 — CID 158477790

IUPAC8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one
SMILESCOc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CN(C)CCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CNCCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC(C)CN3C2=NC(=O)C3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NC(=O)C3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NC(=O)C3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H27FN4O3.C26H26FN5O2.C26H25FN4O3.C26H25FN4O2.C25H24FN5O2/c1-17-10-20(11-19-4-9-23(24(12-19)35-3)31-14-18(2)29-16-31)25-30-26(34)27(15-33,32(25)13-17)21-5-7-22(28)8-6-21;1-18-15-31(17-28-18)22-10-4-19(14-23(22)34-3)5-11-24-29-25(33)26(16-30(2)12-13-32(24)26)20-6-8-21(27)9-7-20;1-17-14-30(16-28-17)22-10-5-18(13-23(22)34-2)12-19-4-3-11-31-24(19)29-25(33)26(31,15-32)20-6-8-21(27)9-7-20;1-17-15-30(16-28-17)22-11-6-18(14-23(22)33-3)13-19-5-4-12-31-24(19)29-25(32)26(31,2)20-7-9-21(27)10-8-20;1-17-14-30(16-28-17)21-9-3-18(13-22(21)33-2)4-10-23-29-24(32)25(15-27-11-12-31(23)25)19-5-7-20(26)8-6-19/h4-9,11-12,14,16-17,33H,10,13,15H2,1-3H3;4-11,14-15,17H,12-13,16H2,1-3H3;5-10,12-14,16,32H,3-4,11,15H2,1-2H3;6-11,13-16H,4-5,12H2,1-3H3;3-10,13-14,16,27H,11-12,15H2,1-2H3/b20-11+;11-5+;19-12+;19-13+;10-4+
InChIKeyHHDLKBLINLUBTA-HQZLGWGCSA-N
MW2284.58 g/mol
LogP18.68
Rot. Bonds24

About 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one

8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one (PubChem CID 158477790) has the molecular formula C130H127F5N22O12 and a molecular weight of 2284.58 g/mol. Its IUPAC name is 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one.

Molecular Properties

Compound Name8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one
PubChem CID158477790
Molecular FormulaC130H127F5N22O12
Molecular Weight2284.58 g/mol
Exact Mass2282.99
IUPAC Name8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one
SMILESCOc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CN(C)CCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CNCCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC(C)CN3C2=NC(=O)C3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NC(=O)C3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NC(=O)C3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C27H27FN4O3.C26H26FN5O2.C26H25FN4O3.C26H25FN4O2.C25H24FN5O2/c1-17-10-20(11-19-4-9-23(24(12-19)35-3)31-14-18(2)29-16-31)25-30-26(34)27(15-33,32(25)13-17)21-5-7-22(28)8-6-21;1-18-15-31(17-28-18)22-10-4-19(14-23(22)34-3)5-11-24-29-25(33)26(16-30(2)12-13-32(24)26)20-6-8-21(27)9-7-20;1-17-14-30(16-28-17)22-10-5-18(13-23(22)34-2)12-19-4-3-11-31-24(19)29-25(33)26(31,15-32)20-6-8-21(27)9-7-20;1-17-15-30(16-28-17)22-11-6-18(14-23(22)33-3)13-19-5-4-12-31-24(19)29-25(32)26(31,2)20-7-9-21(27)10-8-20;1-17-14-30(16-28-17)21-9-3-18(13-22(21)33-2)4-10-23-29-24(32)25(15-27-11-12-31(23)25)19-5-7-20(26)8-6-19/h4-9,11-12,14,16-17,33H,10,13,15H2,1-3H3;4-11,14-15,17H,12-13,16H2,1-3H3;5-10,12-14,16,32H,3-4,11,15H2,1-2H3;6-11,13-16H,4-5,12H2,1-3H3;3-10,13-14,16,27H,11-12,15H2,1-2H3/b20-11+;11-5+;19-12+;19-13+;10-4+
InChIKeyHHDLKBLINLUBTA-HQZLGWGCSA-N
XLogP18.68
TPSA354.33 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002284.58
LogP ≤ 518.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-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
3-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(4-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-methoxybenzonitrile)
CID 158756260
CID 158940407
CID 158940407
(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
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
8a-(4-fluorophenyl)-5-(hydroxymethyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-one;4a-(4-fluorophenyl)-1-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-4H-pyrido[1,2-c]pyrimidin-3-one
CID 145530592
(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;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-2H-imidazo[1,2-c]pyrimidin-5-one
CID 145530625
(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
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

Frequently Asked Questions

What is the IUPAC name of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one?
The IUPAC name of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one (CID 158477790) is 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one.
What is the SMILES notation for 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one?
The canonical SMILES for 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one is COc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CN(C)CCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C/C2=NC(=O)C3(c4ccc(F)cc4)CNCCN23)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CC(C)CN3C2=NC(=O)C3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NC(=O)C3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NC(=O)C3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one?
The InChIKey is HHDLKBLINLUBTA-HQZLGWGCSA-N. The full InChI is InChI=1S/C27H27FN4O3.C26H26FN5O2.C26H25FN4O3.C26H25FN4O2.C25H24FN5O2/c1-17-10-20(11-19-4-9-23(24(12-19)35-3)31-14-18(2)29-16-31)25-30-26(34)27(15-33,32(25)13-17)21-5-7-22(28)8-6-21;1-18-15-31(17-28-18)22-10-4-19(14-23(22)34-3)5-11-24-29-25(33)26(16-30(2)12-13-32(24)26)20-6-8-21(27)9-7-20;1-17-14-30(16-28-17)22-10-5-18(13-23(22)34-2)12-19-4-3-11-31-24(19)29-25(33)26(31,15-32)20-6-8-21(27)9-7-20;1-17-15-30(16-28-17)22-11-6-18(14-23(22)33-3)13-19-5-4-12-31-24(19)29-25(32)26(31,2)20-7-9-21(27)10-8-20;1-17-14-30(16-28-17)21-9-3-18(13-22(21)33-2)4-10-23-29-24(32)25(15-27-11-12-31(23)25)19-5-7-20(26)8-6-19/h4-9,11-12,14,16-17,33H,10,13,15H2,1-3H3;4-11,14-15,17H,12-13,16H2,1-3H3;5-10,12-14,16,32H,3-4,11,15H2,1-2H3;6-11,13-16H,4-5,12H2,1-3H3;3-10,13-14,16,27H,11-12,15H2,1-2H3/b20-11+;11-5+;19-12+;19-13+;10-4+.
What are the key properties of 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one?
8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one has a molecular weight of 2284.58 g/mol, XLogP of 18.68, 24 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-one;8a-(4-fluorophenyl)-3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-2-one is sourced from PubChem (CID 158477790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).