1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one

C166H156F7N27O11S6 — CID 157491500

IUPAC1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one
SMILESCc1[nH]c(N2CCCC(Cc3ccc(F)cc3)C2=O)nc1C(=O)CCc1ccccc1.Cc1nc(-c2ccn(CCN(C)c3ccccc3)n2)sc1C(=O)CCc1cccnc1.Cc1nc(-c2cn(CCc3ccc(F)cc3)nn2)sc1C(=O)CCc1cccnc1.Cc1nc(-c2cncc(CCc3ccccc3)n2)sc1C(=O)CCc1ccccc1.Cc1nc(-n2cc(C(=O)CCc3ccc(F)cc3)nn2)sc1C(=O)CCc1ccccc1.Cc1nc(-n2ccn(Cc3ccc(C(F)(F)F)cc3)c2=O)sc1C(=O)CCc1cccnc1.Cc1nc(N2CCC(Cc3ccc(F)cc3)C2=O)sc1C(=O)CCc1cccnc1
InChIInChI=1S/C25H26FN3O2.C25H23N3OS.C24H21FN4O2S.C24H25N5OS.C23H19F3N4O2S.C23H22FN3O2S.C22H20FN5OS/c1-17-23(22(30)14-11-18-6-3-2-4-7-18)28-25(27-17)29-15-5-8-20(24(29)31)16-19-9-12-21(26)13-10-19;1-18-24(23(29)15-13-20-10-6-3-7-11-20)30-25(27-18)22-17-26-16-21(28-22)14-12-19-8-4-2-5-9-19;1-16-23(22(31)14-10-17-5-3-2-4-6-17)32-24(26-16)29-15-20(27-28-29)21(30)13-9-18-7-11-19(25)12-8-18;1-18-23(22(30)11-10-19-7-6-13-25-17-19)31-24(26-18)21-12-14-29(27-21)16-15-28(2)20-8-4-3-5-9-20;1-15-20(19(31)9-6-16-3-2-10-27-13-16)33-21(28-15)30-12-11-29(22(30)32)14-17-4-7-18(8-5-17)23(24,25)26;1-15-21(20(28)9-6-17-3-2-11-25-14-17)30-23(26-15)27-12-10-18(22(27)29)13-16-4-7-19(24)8-5-16;1-15-21(20(29)9-6-17-3-2-11-24-13-17)30-22(25-15)19-14-28(27-26-19)12-10-16-4-7-18(23)8-5-16/h2-4,6-7,9-10,12-13,20H,5,8,11,14-16H2,1H3,(H,27,28);2-11,16-17H,12-15H2,1H3;2-8,11-12,15H,9-10,13-14H2,1H3;3-9,12-14,17H,10-11,15-16H2,1-2H3;2-5,7-8,10-13H,6,9,14H2,1H3;2-5,7-8,11,14,18H,6,9-10,12-13H2,1H3;2-5,7-8,11,13-14H,6,9-10,12H2,1H3
InChIKeyBXIGCDKMPNKVHB-UHFFFAOYSA-N
MW3030.64 g/mol
LogP33.01
Rot. Bonds55

About 1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one

1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one (PubChem CID 157491500) has the molecular formula C166H156F7N27O11S6 and a molecular weight of 3030.64 g/mol. Its IUPAC name is 1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one.

Molecular Properties

Compound Name1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one
PubChem CID157491500
Molecular FormulaC166H156F7N27O11S6
Molecular Weight3030.64 g/mol
Exact Mass3028.07
IUPAC Name1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one
SMILESCc1[nH]c(N2CCCC(Cc3ccc(F)cc3)C2=O)nc1C(=O)CCc1ccccc1.Cc1nc(-c2ccn(CCN(C)c3ccccc3)n2)sc1C(=O)CCc1cccnc1.Cc1nc(-c2cn(CCc3ccc(F)cc3)nn2)sc1C(=O)CCc1cccnc1.Cc1nc(-c2cncc(CCc3ccccc3)n2)sc1C(=O)CCc1ccccc1.Cc1nc(-n2cc(C(=O)CCc3ccc(F)cc3)nn2)sc1C(=O)CCc1ccccc1.Cc1nc(-n2ccn(Cc3ccc(C(F)(F)F)cc3)c2=O)sc1C(=O)CCc1cccnc1.Cc1nc(N2CCC(Cc3ccc(F)cc3)C2=O)sc1C(=O)CCc1cccnc1
InChIInChI=1S/C25H26FN3O2.C25H23N3OS.C24H21FN4O2S.C24H25N5OS.C23H19F3N4O2S.C23H22FN3O2S.C22H20FN5OS/c1-17-23(22(30)14-11-18-6-3-2-4-7-18)28-25(27-17)29-15-5-8-20(24(29)31)16-19-9-12-21(26)13-10-19;1-18-24(23(29)15-13-20-10-6-3-7-11-20)30-25(27-18)22-17-26-16-21(28-22)14-12-19-8-4-2-5-9-19;1-16-23(22(31)14-10-17-5-3-2-4-6-17)32-24(26-16)29-15-20(27-28-29)21(30)13-9-18-7-11-19(25)12-8-18;1-18-23(22(30)11-10-19-7-6-13-25-17-19)31-24(26-18)21-12-14-29(27-21)16-15-28(2)20-8-4-3-5-9-20;1-15-20(19(31)9-6-16-3-2-10-27-13-16)33-21(28-15)30-12-11-29(22(30)32)14-17-4-7-18(8-5-17)23(24,25)26;1-15-21(20(28)9-6-17-3-2-11-25-14-17)30-23(26-15)27-12-10-18(22(27)29)13-16-4-7-19(24)8-5-16;1-15-21(20(29)9-6-17-3-2-11-24-13-17)30-22(25-15)19-14-28(27-26-19)12-10-16-4-7-18(23)8-5-16/h2-4,6-7,9-10,12-13,20H,5,8,11,14-16H2,1H3,(H,27,28);2-11,16-17H,12-15H2,1H3;2-8,11-12,15H,9-10,13-14H2,1H3;3-9,12-14,17H,10-11,15-16H2,1-2H3;2-5,7-8,10-13H,6,9,14H2,1H3;2-5,7-8,11,14,18H,6,9-10,12-13H2,1H3;2-5,7-8,11,13-14H,6,9-10,12H2,1H3
InChIKeyBXIGCDKMPNKVHB-UHFFFAOYSA-N
XLogP33.01
TPSA469.95 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds55
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003030.64
LogP ≤ 533.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Analyze 1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one with MolForge

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Related Compounds

[5-Fluoro-2-[4-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123317930
[5-fluoro-2-[4-[[(3R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-3-yl]methyl]triazol-2-yl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 144902931
1-[4-[5-Chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone
CID 157525792
1-[4-[4-(Difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 158029613
8-(2-cyclopentyl-2-oxoethyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-pyridin-3-ylpyrimidin-4-yl)pyrido[2,3-d]pyrimidin-7-one;N-[2-[6-(2-fluoro-4-pyrazin-2-ylphenyl)-7-oxo-2-[4-(piperidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-(5-methyl-1-pyridin-3-ylpyrazol-4-yl)-2-[4-(piperidin-4-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-pyridin-4-yl-1,3-thiazol-4-yl)-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 158410655
1-[4-[4-(Difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 158442581
3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(2-phenylethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 158570745
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-isoquinolin-1-yl-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 158613184
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158792541
1-[4-[5-Chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 158924631
2-[2-(2,5-Difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 159730871
(1-benzylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,5-dimethylpyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4,6-dimethyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;(1-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(3-methyl-2H-pyrrol-5-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;4-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;5-methyl-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine;3H-pyrrol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-thiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159841252

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one?
The IUPAC name of 1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one (CID 157491500) is 1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one.
What is the SMILES notation for 1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one?
The canonical SMILES for 1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one is Cc1[nH]c(N2CCCC(Cc3ccc(F)cc3)C2=O)nc1C(=O)CCc1ccccc1.Cc1nc(-c2ccn(CCN(C)c3ccccc3)n2)sc1C(=O)CCc1cccnc1.Cc1nc(-c2cn(CCc3ccc(F)cc3)nn2)sc1C(=O)CCc1cccnc1.Cc1nc(-c2cncc(CCc3ccccc3)n2)sc1C(=O)CCc1ccccc1.Cc1nc(-n2cc(C(=O)CCc3ccc(F)cc3)nn2)sc1C(=O)CCc1ccccc1.Cc1nc(-n2ccn(Cc3ccc(C(F)(F)F)cc3)c2=O)sc1C(=O)CCc1cccnc1.Cc1nc(N2CCC(Cc3ccc(F)cc3)C2=O)sc1C(=O)CCc1cccnc1.
What is the InChIKey of 1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one?
The InChIKey is BXIGCDKMPNKVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2.C25H23N3OS.C24H21FN4O2S.C24H25N5OS.C23H19F3N4O2S.C23H22FN3O2S.C22H20FN5OS/c1-17-23(22(30)14-11-18-6-3-2-4-7-18)28-25(27-17)29-15-5-8-20(24(29)31)16-19-9-12-21(26)13-10-19;1-18-24(23(29)15-13-20-10-6-3-7-11-20)30-25(27-18)22-17-26-16-21(28-22)14-12-19-8-4-2-5-9-19;1-16-23(22(31)14-10-17-5-3-2-4-6-17)32-24(26-16)29-15-20(27-28-29)21(30)13-9-18-7-11-19(25)12-8-18;1-18-23(22(30)11-10-19-7-6-13-25-17-19)31-24(26-18)21-12-14-29(27-21)16-15-28(2)20-8-4-3-5-9-20;1-15-20(19(31)9-6-16-3-2-10-27-13-16)33-21(28-15)30-12-11-29(22(30)32)14-17-4-7-18(8-5-17)23(24,25)26;1-15-21(20(28)9-6-17-3-2-11-25-14-17)30-23(26-15)27-12-10-18(22(27)29)13-16-4-7-19(24)8-5-16;1-15-21(20(29)9-6-17-3-2-11-24-13-17)30-22(25-15)19-14-28(27-26-19)12-10-16-4-7-18(23)8-5-16/h2-4,6-7,9-10,12-13,20H,5,8,11,14-16H2,1H3,(H,27,28);2-11,16-17H,12-15H2,1H3;2-8,11-12,15H,9-10,13-14H2,1H3;3-9,12-14,17H,10-11,15-16H2,1-2H3;2-5,7-8,10-13H,6,9,14H2,1H3;2-5,7-8,11,14,18H,6,9-10,12-13H2,1H3;2-5,7-8,11,13-14H,6,9-10,12H2,1H3.
What are the key properties of 1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one?
1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one has a molecular weight of 3030.64 g/mol, XLogP of 33.01, 55 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[2-(4-fluorophenyl)ethyl]triazol-4-yl]-4-methyl-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;3-[(4-fluorophenyl)methyl]-1-[5-methyl-4-(3-phenylpropanoyl)-1H-imidazol-2-yl]piperidin-2-one;3-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]pyrrolidin-2-one;3-(4-fluorophenyl)-1-[1-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]triazol-4-yl]propan-1-one;1-[4-methyl-2-[1-[2-(N-methylanilino)ethyl]pyrazol-3-yl]-1,3-thiazol-5-yl]-3-pyridin-3-ylpropan-1-one;1-[4-methyl-2-[6-(2-phenylethyl)pyrazin-2-yl]-1,3-thiazol-5-yl]-3-phenylpropan-1-one;1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-one is sourced from PubChem (CID 157491500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).