2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C145H161F6N33O9 — CID 158925335

IUPAC2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCOc1cc(C2=CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)nc3C(C)C)CC2)ncn1.COc1ccnc(C2=CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)nc3C(C)C)CC2)c1.COc1cnc(C2=CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)nc3C(C)C)CC2)nc1.Cc1cc(-c2nc(C(C)C)n(CC(=O)N3CC=C(c4ccccn4)CC3)n2)ccc1F.Cc1cc(-c2nc(C(C)C)n(CC(=O)N3CC=C(c4ncccn4)CC3)n2)ccc1F.Cc1ccnc(C2=CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)nc3C(C)C)CC2)c1
InChIInChI=1S/C25H28FN5O2.C25H28FN5O.2C24H27FN6O2.C24H26FN5O.C23H25FN6O/c1-16(2)25-28-24(19-5-6-21(26)17(3)13-19)29-31(25)15-23(32)30-11-8-18(9-12-30)22-14-20(33-4)7-10-27-22;1-16(2)25-28-24(20-5-6-21(26)18(4)14-20)29-31(25)15-23(32)30-11-8-19(9-12-30)22-13-17(3)7-10-27-22;1-15(2)24-28-23(18-5-6-20(25)16(3)11-18)29-31(24)14-21(32)30-9-7-17(8-10-30)22-26-12-19(33-4)13-27-22;1-15(2)24-28-23(18-5-6-19(25)16(3)11-18)29-31(24)13-22(32)30-9-7-17(8-10-30)20-12-21(33-4)27-14-26-20;1-16(2)24-27-23(19-7-8-20(25)17(3)14-19)28-30(24)15-22(31)29-12-9-18(10-13-29)21-6-4-5-11-26-21;1-15(2)23-27-22(18-5-6-19(24)16(3)13-18)28-30(23)14-20(31)29-11-7-17(8-12-29)21-25-9-4-10-26-21/h5-8,10,13-14,16H,9,11-12,15H2,1-4H3;5-8,10,13-14,16H,9,11-12,15H2,1-4H3;5-7,11-13,15H,8-10,14H2,1-4H3;5-7,11-12,14-15H,8-10,13H2,1-4H3;4-9,11,14,16H,10,12-13,15H2,1-3H3;4-7,9-10,13,15H,8,11-12,14H2,1-3H3
InChIKeyJIJGLVAVXAFTKU-UHFFFAOYSA-N
MW2624.09 g/mol
LogP23.88
Rot. Bonds33

About 2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone

2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 158925335) has the molecular formula C145H161F6N33O9 and a molecular weight of 2624.09 g/mol. Its IUPAC name is 2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID158925335
Molecular FormulaC145H161F6N33O9
Molecular Weight2624.09 g/mol
Exact Mass2622.31
IUPAC Name2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCOc1cc(C2=CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)nc3C(C)C)CC2)ncn1.COc1ccnc(C2=CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)nc3C(C)C)CC2)c1.COc1cnc(C2=CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)nc3C(C)C)CC2)nc1.Cc1cc(-c2nc(C(C)C)n(CC(=O)N3CC=C(c4ccccn4)CC3)n2)ccc1F.Cc1cc(-c2nc(C(C)C)n(CC(=O)N3CC=C(c4ncccn4)CC3)n2)ccc1F.Cc1ccnc(C2=CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)nc3C(C)C)CC2)c1
InChIInChI=1S/C25H28FN5O2.C25H28FN5O.2C24H27FN6O2.C24H26FN5O.C23H25FN6O/c1-16(2)25-28-24(19-5-6-21(26)17(3)13-19)29-31(25)15-23(32)30-11-8-18(9-12-30)22-14-20(33-4)7-10-27-22;1-16(2)25-28-24(20-5-6-21(26)18(4)14-20)29-31(25)15-23(32)30-11-8-19(9-12-30)22-13-17(3)7-10-27-22;1-15(2)24-28-23(18-5-6-20(25)16(3)11-18)29-31(24)14-21(32)30-9-7-17(8-10-30)22-26-12-19(33-4)13-27-22;1-15(2)24-28-23(18-5-6-19(25)16(3)11-18)29-31(24)13-22(32)30-9-7-17(8-10-30)20-12-21(33-4)27-14-26-20;1-16(2)24-27-23(19-7-8-20(25)17(3)14-19)28-30(24)15-22(31)29-12-9-18(10-13-29)21-6-4-5-11-26-21;1-15(2)23-27-22(18-5-6-19(24)16(3)13-18)28-30(23)14-20(31)29-11-7-17(8-12-29)21-25-9-4-10-26-21/h5-8,10,13-14,16H,9,11-12,15H2,1-4H3;5-8,10,13-14,16H,9,11-12,15H2,1-4H3;5-7,11-13,15H,8-10,14H2,1-4H3;5-7,11-12,14-15H,8-10,13H2,1-4H3;4-9,11,14,16H,10,12-13,15H2,1-3H3;4-7,9-10,13,15H,8,11-12,14H2,1-3H3
InChIKeyJIJGLVAVXAFTKU-UHFFFAOYSA-N
XLogP23.88
TPSA449.82 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds33
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002624.09
LogP ≤ 523.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone with MolForge

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Related Compounds

[5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-pyrimidin-5-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 157202689
2-[4,5-Bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-imidazol-3-id-4-ylpyridine;hexakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-phenylpyridine;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[2-(trifluoromethyl)imidazol-3-id-4-yl]pyridine;2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine
CID 157239353
9-[[4-(3-methoxy-5-methylpyrazol-1-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[(1S)-1-[4-[4-methyl-2-(trifluoromethyl)-4H-imidazol-5-yl]phenyl]ethyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 157339029
3-butyl-2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridine;N,N-dimethyl-2-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]acetamide;3-(2-fluoropropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;(2S)-4-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]butan-2-ol;(2R)-4-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]butan-2-ol;4-[2-methylidene-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]butan-2-ol;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 157651263
CID 157665958
CID 157665958
2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;bis(2-[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);tris(2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);tris(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);2-(4,5-difluoropyrazol-2-id-3-yl)pyridine;hexakis(iridium);pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 157762933
2-(3,5-Diphenylpyrazol-1-yl)-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 158156416
methane;7-[[4-(3-methoxy-5-methylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158406725
2-[4-[2-[3,5-Bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]piperazin-1-yl]pyridine-4-carbonitrile;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone;2-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 158434905
7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158437677
5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]-N-methyl-2-morpholin-4-ylpropanamide;2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-5-[1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 158575134
7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159481976

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 158925335) is 2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is COc1cc(C2=CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)nc3C(C)C)CC2)ncn1.COc1ccnc(C2=CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)nc3C(C)C)CC2)c1.COc1cnc(C2=CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)nc3C(C)C)CC2)nc1.Cc1cc(-c2nc(C(C)C)n(CC(=O)N3CC=C(c4ccccn4)CC3)n2)ccc1F.Cc1cc(-c2nc(C(C)C)n(CC(=O)N3CC=C(c4ncccn4)CC3)n2)ccc1F.Cc1ccnc(C2=CCN(C(=O)Cn3nc(-c4ccc(F)c(C)c4)nc3C(C)C)CC2)c1.
What is the InChIKey of 2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is JIJGLVAVXAFTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2.C25H28FN5O.2C24H27FN6O2.C24H26FN5O.C23H25FN6O/c1-16(2)25-28-24(19-5-6-21(26)17(3)13-19)29-31(25)15-23(32)30-11-8-18(9-12-30)22-14-20(33-4)7-10-27-22;1-16(2)25-28-24(20-5-6-21(26)18(4)14-20)29-31(25)15-23(32)30-11-8-19(9-12-30)22-13-17(3)7-10-27-22;1-15(2)24-28-23(18-5-6-20(25)16(3)11-18)29-31(24)14-21(32)30-9-7-17(8-10-30)22-26-12-19(33-4)13-27-22;1-15(2)24-28-23(18-5-6-19(25)16(3)11-18)29-31(24)13-22(32)30-9-7-17(8-10-30)20-12-21(33-4)27-14-26-20;1-16(2)24-27-23(19-7-8-20(25)17(3)14-19)28-30(24)15-22(31)29-12-9-18(10-13-29)21-6-4-5-11-26-21;1-15(2)23-27-22(18-5-6-19(24)16(3)13-18)28-30(23)14-20(31)29-11-7-17(8-12-29)21-25-9-4-10-26-21/h5-8,10,13-14,16H,9,11-12,15H2,1-4H3;5-8,10,13-14,16H,9,11-12,15H2,1-4H3;5-7,11-13,15H,8-10,14H2,1-4H3;5-7,11-12,14-15H,8-10,13H2,1-4H3;4-9,11,14,16H,10,12-13,15H2,1-3H3;4-7,9-10,13,15H,8,11-12,14H2,1-3H3.
What are the key properties of 2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 2624.09 g/mol, XLogP of 23.88, 33 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-propan-2-yl-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 158925335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).