3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde

C187H154F9N13O9 — CID 167693179

IUPAC3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde
SMILESC=CNc1ccc(-c2cccc(/C=C/c3cc(C=O)ccc3C(F)(F)F)c2C)cn1.C=CNc1cnc(-c2cccc(/C=C/c3cc(C=O)ccc3C(F)(F)F)c2C)cn1.C=Cc1ccc(C)c(/C=C/c2cccc(-c3ccc4nc(C)oc4c3)c2C)c1.Cc1c(/C=C/c2cc(C=O)ccc2C(F)(F)F)cccc1-c1ccc2cnoc2c1.Cc1ccc(C=O)cc1/C=C/c1cccc(-c2ccc3cn(C)nc3c2)c1C.Cc1ccc(C=O)cc1/C=C/c1cccc(-c2ccccn2)c1C.Cc1ccc(C=O)cc1/C=C/c1cccc(-c2cccnc2)c1C.Cc1ccc(C=O)cc1/C=C/c1cccc(-c2cnccn2)c1C
InChIInChI=1S/C26H23NO.C25H22N2O.C24H19F3N2O.C24H16F3NO2.C23H18F3N3O.2C22H19NO.C21H18N2O/c1-5-20-10-9-17(2)22(15-20)12-11-21-7-6-8-24(18(21)3)23-13-14-25-26(16-23)28-19(4)27-25;1-17-7-8-19(16-28)13-21(17)10-9-20-5-4-6-24(18(20)2)22-11-12-23-15-27(3)26-25(23)14-22;1-3-28-23-12-10-20(14-29-23)21-6-4-5-18(16(21)2)8-9-19-13-17(15-30)7-11-22(19)24(25,26)27;1-15-17(6-8-19-11-16(14-29)5-10-22(19)24(25,26)27)3-2-4-21(15)18-7-9-20-13-28-30-23(20)12-18;1-3-27-22-13-28-21(12-29-22)19-6-4-5-17(15(19)2)8-9-18-11-16(14-30)7-10-20(18)23(24,25)26;1-16-8-9-18(15-24)13-20(16)11-10-19-5-3-7-22(17(19)2)21-6-4-12-23-14-21;1-16-9-10-18(15-24)14-20(16)12-11-19-6-5-7-21(17(19)2)22-8-3-4-13-23-22;1-15-6-7-17(14-24)12-19(15)9-8-18-4-3-5-20(16(18)2)21-13-22-10-11-23-21/h5-16H,1H2,2-4H3;4-16H,1-3H3;3-15H,1H2,2H3,(H,28,29);2-14H,1H3;3-14H,1H2,2H3,(H,27,29);2*3-15H,1-2H3;3-14H,1-2H3/b12-11+;10-9+;9-8+;8-6+;9-8+;11-10+;12-11+;9-8+
InChIKeyXGHLDLSQAIHABF-SSMQRPIASA-N
MW2898.35 g/mol
LogP47.94
Rot. Bonds36

About 3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde

3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde (PubChem CID 167693179) has the molecular formula C187H154F9N13O9 and a molecular weight of 2898.35 g/mol. Its IUPAC name is 3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde
PubChem CID167693179
Molecular FormulaC187H154F9N13O9
Molecular Weight2898.35 g/mol
Exact Mass2896.18
IUPAC Name3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde
SMILESC=CNc1ccc(-c2cccc(/C=C/c3cc(C=O)ccc3C(F)(F)F)c2C)cn1.C=CNc1cnc(-c2cccc(/C=C/c3cc(C=O)ccc3C(F)(F)F)c2C)cn1.C=Cc1ccc(C)c(/C=C/c2cccc(-c3ccc4nc(C)oc4c3)c2C)c1.Cc1c(/C=C/c2cc(C=O)ccc2C(F)(F)F)cccc1-c1ccc2cnoc2c1.Cc1ccc(C=O)cc1/C=C/c1cccc(-c2ccc3cn(C)nc3c2)c1C.Cc1ccc(C=O)cc1/C=C/c1cccc(-c2ccccn2)c1C.Cc1ccc(C=O)cc1/C=C/c1cccc(-c2cccnc2)c1C.Cc1ccc(C=O)cc1/C=C/c1cccc(-c2cnccn2)c1C
InChIInChI=1S/C26H23NO.C25H22N2O.C24H19F3N2O.C24H16F3NO2.C23H18F3N3O.2C22H19NO.C21H18N2O/c1-5-20-10-9-17(2)22(15-20)12-11-21-7-6-8-24(18(21)3)23-13-14-25-26(16-23)28-19(4)27-25;1-17-7-8-19(16-28)13-21(17)10-9-20-5-4-6-24(18(20)2)22-11-12-23-15-27(3)26-25(23)14-22;1-3-28-23-12-10-20(14-29-23)21-6-4-5-18(16(21)2)8-9-19-13-17(15-30)7-11-22(19)24(25,26)27;1-15-17(6-8-19-11-16(14-29)5-10-22(19)24(25,26)27)3-2-4-21(15)18-7-9-20-13-28-30-23(20)12-18;1-3-27-22-13-28-21(12-29-22)19-6-4-5-17(15(19)2)8-9-18-11-16(14-30)7-10-20(18)23(24,25)26;1-16-8-9-18(15-24)13-20(16)11-10-19-5-3-7-22(17(19)2)21-6-4-12-23-14-21;1-16-9-10-18(15-24)14-20(16)12-11-19-6-5-7-21(17(19)2)22-8-3-4-13-23-22;1-15-6-7-17(14-24)12-19(15)9-8-18-4-3-5-20(16(18)2)21-13-22-10-11-23-21/h5-16H,1H2,2-4H3;4-16H,1-3H3;3-15H,1H2,2H3,(H,28,29);2-14H,1H3;3-14H,1H2,2H3,(H,27,29);2*3-15H,1-2H3;3-14H,1-2H3/b12-11+;10-9+;9-8+;8-6+;9-8+;11-10+;12-11+;9-8+
InChIKeyXGHLDLSQAIHABF-SSMQRPIASA-N
XLogP47.94
TPSA303.66 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002898.35
LogP ≤ 547.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde with MolForge

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Related Compounds

6-[7-(difluoromethyl)-1-[6-(methylcarbamoylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]-2-[6-[8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-2-(methylcarbamoyl)quinolin-5-yl]-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1,3-benzoxazole-4-carboxamide
CID 132181505
(2S)-2-[[3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-methylphenyl]methylamino]-3-hydroxy-2-methylpropanoic acid;(3S)-4-hydroxy-3-methyl-3-[[3-[(E)-2-[2-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)phenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]butan-2-one;(2S)-3-hydroxy-2-methyl-2-[[3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid;(2S)-3-hydroxy-2-methyl-2-[[4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]phenyl]methylamino]propanoic acid;(2S)-3-hydroxy-2-methyl-2-[[3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid;(2S)-3-hydroxy-2-methyl-2-[[3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 157202848
4-tert-butyl-2H-benzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-4-fluoro-2H-indazole;3-tert-butyl-5-fluoro-2H-indazole;3-tert-butyl-6-fluoro-2H-indazole;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-3-fluoro-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-2H-indazole;4-tert-butyl-1-methylbenzimidazole;3-tert-butyl-2-methylindazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;2-methyl-6-propan-2-yl-1,3-benzoxazole
CID 158251202
N-[3-carbamoyl-1-(3-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]-6-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]pyridine-2-carboxamide;N-[3-carbamoyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;N-[3-carbamoyl-1-(6-propan-2-yl-3-pyridinyl)pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxy-4-propan-2-ylisoquinoline-6-carboxamide
CID 158295721
2,4-Dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene
CID 159376626
3-(azetidin-2-ylmethoxy)-5-propan-2-ylpyridine;2,3-dimethylbut-1-ene;ethyl (Z)-4-methylpent-2-enoate;2-fluoro-4-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;6-methoxy-5-propan-2-ylpyridin-3-amine;3-methylbut-1-ene;[(E)-3-methylbut-1-enyl]benzene;1-[(E)-3-methylbut-1-enyl]naphthalene;[(E)-4-methylpent-1-enyl]benzene;3-methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;2-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-nitro-5-propan-2-ylpyridine;3-propan-2-ylcyclohexene;4-propan-2-yl-2,3-dihydro-1-benzofuran;1-(2-propan-2-ylphenyl)ethanone;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 159809692
N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-[2-(3H-pyrrol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 159908285
1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]but-3-en-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[2-(1,2-oxazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1,2-oxazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobut-3-enyl)pyrimidin-4-yl]oxybenzamide
CID 159992983
1-[[6-[5-[2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]-2-methylphenoxy]pyrimidin-4-yl]amino]but-3-en-2-one;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[2-(1,2-oxazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1,2-oxazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[6-(2-oxobut-3-enyl)pyrimidin-4-yl]oxybenzamide;methane
CID 160023396
(2S)-2-[[3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid;(3S)-4-hydroxy-3-methyl-3-[[3-[(E)-2-[2-methyl-3-(2-methyl-1,3-benzoxazol-6-yl)phenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]butan-2-one;(2S)-3-hydroxy-2-methyl-2-[[3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid;(2S)-3-hydroxy-2-methyl-2-[[3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid;(2S)-3-hydroxy-2-methyl-2-[[3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid;(2S)-3-hydroxy-2-methyl-2-[[3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 161000186
2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide
CID 161167561
2-[3-(1,1-Difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[2-(1,2-oxazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(1,2-oxazol-4-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone;2-[3-(1,1-difluoroethyl)-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-1-[4-methyl-3-[6-(oxetan-3-ylamino)pyrimidin-4-yl]oxyphenyl]ethanone
CID 161557038

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde?
The IUPAC name of 3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde (CID 167693179) is 3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde.
What is the SMILES notation for 3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde?
The canonical SMILES for 3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde is C=CNc1ccc(-c2cccc(/C=C/c3cc(C=O)ccc3C(F)(F)F)c2C)cn1.C=CNc1cnc(-c2cccc(/C=C/c3cc(C=O)ccc3C(F)(F)F)c2C)cn1.C=Cc1ccc(C)c(/C=C/c2cccc(-c3ccc4nc(C)oc4c3)c2C)c1.Cc1c(/C=C/c2cc(C=O)ccc2C(F)(F)F)cccc1-c1ccc2cnoc2c1.Cc1ccc(C=O)cc1/C=C/c1cccc(-c2ccc3cn(C)nc3c2)c1C.Cc1ccc(C=O)cc1/C=C/c1cccc(-c2ccccn2)c1C.Cc1ccc(C=O)cc1/C=C/c1cccc(-c2cccnc2)c1C.Cc1ccc(C=O)cc1/C=C/c1cccc(-c2cnccn2)c1C.
What is the InChIKey of 3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde?
The InChIKey is XGHLDLSQAIHABF-SSMQRPIASA-N. The full InChI is InChI=1S/C26H23NO.C25H22N2O.C24H19F3N2O.C24H16F3NO2.C23H18F3N3O.2C22H19NO.C21H18N2O/c1-5-20-10-9-17(2)22(15-20)12-11-21-7-6-8-24(18(21)3)23-13-14-25-26(16-23)28-19(4)27-25;1-17-7-8-19(16-28)13-21(17)10-9-20-5-4-6-24(18(20)2)22-11-12-23-15-27(3)26-25(23)14-22;1-3-28-23-12-10-20(14-29-23)21-6-4-5-18(16(21)2)8-9-19-13-17(15-30)7-11-22(19)24(25,26)27;1-15-17(6-8-19-11-16(14-29)5-10-22(19)24(25,26)27)3-2-4-21(15)18-7-9-20-13-28-30-23(20)12-18;1-3-27-22-13-28-21(12-29-22)19-6-4-5-17(15(19)2)8-9-18-11-16(14-30)7-10-20(18)23(24,25)26;1-16-8-9-18(15-24)13-20(16)11-10-19-5-3-7-22(17(19)2)21-6-4-12-23-14-21;1-16-9-10-18(15-24)14-20(16)12-11-19-6-5-7-21(17(19)2)22-8-3-4-13-23-22;1-15-6-7-17(14-24)12-19(15)9-8-18-4-3-5-20(16(18)2)21-13-22-10-11-23-21/h5-16H,1H2,2-4H3;4-16H,1-3H3;3-15H,1H2,2H3,(H,28,29);2-14H,1H3;3-14H,1H2,2H3,(H,27,29);2*3-15H,1-2H3;3-14H,1-2H3/b12-11+;10-9+;9-8+;8-6+;9-8+;11-10+;12-11+;9-8+.
What are the key properties of 3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde?
3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde has a molecular weight of 2898.35 g/mol, XLogP of 47.94, 36 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde is sourced from PubChem (CID 167693179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).