5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine

C133H127F6N23O12S3 — CID 159136164

IUPAC5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(C)cc(F)c1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2C)c2nncn12.COc1cc(C)cc(F)c1CCc1ccc(-c2cccnc2C)c2nncn12.COc1cc(C)cc(F)c1CCc1ccc(-c2cnc(S(C)(=O)=O)cc2C)c2nncn12.COc1ccc(C)c(F)c1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)c2nncn12.COc1ccc(C)c(F)c1CCc1ccc(-c2cccnc2)c2nncn12.COc1ccc(C)c(F)c1CCc1ccc(-c2ccncc2)c2nncn12
InChIInChI=1S/2C23H23FN4O3S.C23H22FN3O3S.C22H21FN4O.2C21H19FN4O/c1-14-9-20(24)18(21(10-14)31-3)8-6-16-5-7-17(23-27-26-13-28(16)23)19-12-25-22(11-15(19)2)32(4,29)30;1-14-11-20(24)19(21(12-14)31-3)8-6-16-5-7-18(23-27-25-13-28(16)23)17-9-10-22(26-15(17)2)32(4,29)30;1-15-4-13-21(30-2)20(22(15)24)12-8-17-7-11-19(23-26-25-14-27(17)23)16-5-9-18(10-6-16)31(3,28)29;1-14-11-20(23)19(21(12-14)28-3)9-7-16-6-8-18(22-26-25-13-27(16)22)17-5-4-10-24-15(17)2;1-14-3-8-19(27-2)18(20(14)22)7-5-16-4-6-17(15-9-11-23-12-10-15)21-25-24-13-26(16)21;1-14-5-10-19(27-2)18(20(14)22)9-7-16-6-8-17(15-4-3-11-23-12-15)21-25-24-13-26(16)21/h2*5,7,9-13H,6,8H2,1-4H3;4-7,9-11,13-14H,8,12H2,1-3H3;4-6,8,10-13H,7,9H2,1-3H3;3-4,6,8-13H,5,7H2,1-2H3;3-6,8,10-13H,7,9H2,1-2H3
InChIKeyKHNDESPLNNUCGM-UHFFFAOYSA-N
MW2449.82 g/mol
LogP23.94
Rot. Bonds33

About 5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine

5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 159136164) has the molecular formula C133H127F6N23O12S3 and a molecular weight of 2449.82 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID159136164
Molecular FormulaC133H127F6N23O12S3
Molecular Weight2449.82 g/mol
Exact Mass2447.91
IUPAC Name5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(C)cc(F)c1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2C)c2nncn12.COc1cc(C)cc(F)c1CCc1ccc(-c2cccnc2C)c2nncn12.COc1cc(C)cc(F)c1CCc1ccc(-c2cnc(S(C)(=O)=O)cc2C)c2nncn12.COc1ccc(C)c(F)c1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)c2nncn12.COc1ccc(C)c(F)c1CCc1ccc(-c2cccnc2)c2nncn12.COc1ccc(C)c(F)c1CCc1ccc(-c2ccncc2)c2nncn12
InChIInChI=1S/2C23H23FN4O3S.C23H22FN3O3S.C22H21FN4O.2C21H19FN4O/c1-14-9-20(24)18(21(10-14)31-3)8-6-16-5-7-17(23-27-26-13-28(16)23)19-12-25-22(11-15(19)2)32(4,29)30;1-14-11-20(24)19(21(12-14)31-3)8-6-16-5-7-18(23-27-25-13-28(16)23)17-9-10-22(26-15(17)2)32(4,29)30;1-15-4-13-21(30-2)20(22(15)24)12-8-17-7-11-19(23-26-25-14-27(17)23)16-5-9-18(10-6-16)31(3,28)29;1-14-11-20(23)19(21(12-14)28-3)9-7-16-6-8-18(22-26-25-13-27(16)22)17-5-4-10-24-15(17)2;1-14-3-8-19(27-2)18(20(14)22)7-5-16-4-6-17(15-9-11-23-12-10-15)21-25-24-13-26(16)21;1-14-5-10-19(27-2)18(20(14)22)9-7-16-6-8-17(15-4-3-11-23-12-15)21-25-24-13-26(16)21/h2*5,7,9-13H,6,8H2,1-4H3;4-7,9-11,13-14H,8,12H2,1-3H3;4-6,8,10-13H,7,9H2,1-3H3;3-4,6,8-13H,5,7H2,1-2H3;3-6,8,10-13H,7,9H2,1-2H3
InChIKeyKHNDESPLNNUCGM-UHFFFAOYSA-N
XLogP23.94
TPSA403.39 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds33
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002449.82
LogP ≤ 523.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-(1,1-Difluoroethyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 157712011
2-(2,3-Dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole;4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine
CID 157837412
6-[[5-Bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 158029600
6-[[5-Bromo-6-(4-methylpyrazol-1-yl)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1,1-difluoroethylsulfinyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;6-[[4-(1-fluoroethoxy)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;methane;5-methyl-6-[[4-(trifluoromethylsulfonyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 158495687
8-(2-Cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 158998060
8-[4-[(3,3-Difluoroazetidin-1-yl)methyl]phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylsulfonylphenyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methyl]pyrrolidin-2-one
CID 159254061
4-[6-[4-(1,1-Difluoroethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;3-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile;3-(1-methylpyrazol-4-yl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(4-methylsulfonylphenyl)-6-(4-phenoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 160045330
8-(4-chloro-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;[2-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methanol;3-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[2-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 160208253
8-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-[2-(difluoromethyl)-6-methyl-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;6-fluoro-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 160808734
5-[2-(2-Methoxy-4-methylphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxy-4-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine;4-[5-[2-(2-methoxy-4-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzenesulfonamide;5-[2-(2-methoxyphenyl)ethyl]-8-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 161176058
3-(1,1-Difluoroethyl)-7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 162220345
5-[2-(2-Fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 159136169

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 159136164) is 5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine is COc1cc(C)cc(F)c1CCc1ccc(-c2ccc(S(C)(=O)=O)nc2C)c2nncn12.COc1cc(C)cc(F)c1CCc1ccc(-c2cccnc2C)c2nncn12.COc1cc(C)cc(F)c1CCc1ccc(-c2cnc(S(C)(=O)=O)cc2C)c2nncn12.COc1ccc(C)c(F)c1CCc1ccc(-c2ccc(S(C)(=O)=O)cc2)c2nncn12.COc1ccc(C)c(F)c1CCc1ccc(-c2cccnc2)c2nncn12.COc1ccc(C)c(F)c1CCc1ccc(-c2ccncc2)c2nncn12.
What is the InChIKey of 5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KHNDESPLNNUCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H23FN4O3S.C23H22FN3O3S.C22H21FN4O.2C21H19FN4O/c1-14-9-20(24)18(21(10-14)31-3)8-6-16-5-7-17(23-27-26-13-28(16)23)19-12-25-22(11-15(19)2)32(4,29)30;1-14-11-20(24)19(21(12-14)31-3)8-6-16-5-7-18(23-27-25-13-28(16)23)17-9-10-22(26-15(17)2)32(4,29)30;1-15-4-13-21(30-2)20(22(15)24)12-8-17-7-11-19(23-26-25-14-27(17)23)16-5-9-18(10-6-16)31(3,28)29;1-14-11-20(23)19(21(12-14)28-3)9-7-16-6-8-18(22-26-25-13-27(16)22)17-5-4-10-24-15(17)2;1-14-3-8-19(27-2)18(20(14)22)7-5-16-4-6-17(15-9-11-23-12-10-15)21-25-24-13-26(16)21;1-14-5-10-19(27-2)18(20(14)22)9-7-16-6-8-17(15-4-3-11-23-12-15)21-25-24-13-26(16)21/h2*5,7,9-13H,6,8H2,1-4H3;4-7,9-11,13-14H,8,12H2,1-3H3;4-6,8,10-13H,7,9H2,1-3H3;3-4,6,8-13H,5,7H2,1-2H3;3-6,8,10-13H,7,9H2,1-2H3.
What are the key properties of 5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?
5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 2449.82 g/mol, XLogP of 23.94, 33 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-6-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-3-methylphenyl)ethyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 159136164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).