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

C117H115F2N19O10S2 — CID 159254061

IUPAC8-[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
SMILESCCS(=O)(=O)c1ccc(-c2ccc(CCc3ccccc3OC)n3cnnc23)cc1.COc1ccccc1CCc1ccc(-c2ccc(CN3CC(F)(F)C3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(CN3CCCC3=O)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(S(=O)(=O)C(C)C)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2cncnc2)c2nncn12
InChIInChI=1S/C26H26N4O2.C25H24F2N4O.C24H25N3O3S.C23H23N3O3S.C19H17N5O/c1-32-24-6-3-2-5-21(24)12-13-22-14-15-23(26-28-27-18-30(22)26)20-10-8-19(9-11-20)17-29-16-4-7-25(29)31;1-32-23-5-3-2-4-20(23)10-11-21-12-13-22(24-29-28-17-31(21)24)19-8-6-18(7-9-19)14-30-15-25(26,27)16-30;1-17(2)31(28,29)21-13-9-18(10-14-21)22-15-12-20(27-16-25-26-24(22)27)11-8-19-6-4-5-7-23(19)30-3;1-3-30(27,28)20-13-9-17(10-14-20)21-15-12-19(26-16-24-25-23(21)26)11-8-18-6-4-5-7-22(18)29-2;1-25-18-5-3-2-4-14(18)6-7-16-8-9-17(15-10-20-12-21-11-15)19-23-22-13-24(16)19/h2-3,5-6,8-11,14-15,18H,4,7,12-13,16-17H2,1H3;2-9,12-13,17H,10-11,14-16H2,1H3;4-7,9-10,12-17H,8,11H2,1-3H3;4-7,9-10,12-16H,3,8,11H2,1-2H3;2-5,8-13H,6-7H2,1H3
InChIKeyKVQYZAFPOYRCKH-UHFFFAOYSA-N
MW2049.46 g/mol
LogP20.29
Rot. Bonds33

About 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

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 (PubChem CID 159254061) has the molecular formula C117H115F2N19O10S2 and a molecular weight of 2049.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-[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
PubChem CID159254061
Molecular FormulaC117H115F2N19O10S2
Molecular Weight2049.46 g/mol
Exact Mass2047.85
IUPAC Name8-[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
SMILESCCS(=O)(=O)c1ccc(-c2ccc(CCc3ccccc3OC)n3cnnc23)cc1.COc1ccccc1CCc1ccc(-c2ccc(CN3CC(F)(F)C3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(CN3CCCC3=O)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(S(=O)(=O)C(C)C)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2cncnc2)c2nncn12
InChIInChI=1S/C26H26N4O2.C25H24F2N4O.C24H25N3O3S.C23H23N3O3S.C19H17N5O/c1-32-24-6-3-2-5-21(24)12-13-22-14-15-23(26-28-27-18-30(22)26)20-10-8-19(9-11-20)17-29-16-4-7-25(29)31;1-32-23-5-3-2-4-20(23)10-11-21-12-13-22(24-29-28-17-31(21)24)19-8-6-18(7-9-19)14-30-15-25(26,27)16-30;1-17(2)31(28,29)21-13-9-18(10-14-21)22-15-12-20(27-16-25-26-24(22)27)11-8-19-6-4-5-7-23(19)30-3;1-3-30(27,28)20-13-9-17(10-14-20)21-15-12-19(26-16-24-25-23(21)26)11-8-18-6-4-5-7-22(18)29-2;1-25-18-5-3-2-4-14(18)6-7-16-8-9-17(15-10-20-12-21-11-15)19-23-22-13-24(16)19/h2-3,5-6,8-11,14-15,18H,4,7,12-13,16-17H2,1H3;2-9,12-13,17H,10-11,14-16H2,1H3;4-7,9-10,12-17H,8,11H2,1-3H3;4-7,9-10,12-16H,3,8,11H2,1-2H3;2-5,8-13H,6-7H2,1H3
InChIKeyKVQYZAFPOYRCKH-UHFFFAOYSA-N
XLogP20.29
TPSA314.71 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002049.46
LogP ≤ 520.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

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Related Compounds

2-Butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidine;[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
CID 157579262
2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157901171
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
2-[2-(difluoromethoxy)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(dimethylamino)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158318714
2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoro-5-methylpyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158687426
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
2-Butylsulfinyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;2-[2-butylsulfinyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole;2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole;(3-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 160086902
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
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
[5-(4-Methoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-(6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone;piperidin-1-yl-[7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 161612182
5-[4-(1,1-Difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(5-methylpyrimidin-2-yl)pyrrolidine-2,3-dione;5-[6-(dimethylamino)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-(4-methylsulfonylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(5-methylpyrimidin-2-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione
CID 161672254
5-[4-(1,1-Difluoroethyl)phenyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;5-[6-(dimethylamino)-3-pyridinyl]-4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)pyrrolidine-2,3-dione;4-[hydroxy-[1-(6-methylpyridazin-3-yl)-4,5-dioxo-2-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-ylidene]methyl]benzonitrile;4-[hydroxy-(4-methylsulfonylphenyl)methylidene]-1-(6-methylpyridazin-3-yl)-5-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,3-dione;4-[hydroxy-(4-propan-2-ylphenyl)methylidene]-1-(5-methylpyrimidin-2-yl)-5-[6-(trifluoromethoxy)-3-pyridinyl]pyrrolidine-2,3-dione
CID 161851553

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCS(=O)(=O)c1ccc(-c2ccc(CCc3ccccc3OC)n3cnnc23)cc1.COc1ccccc1CCc1ccc(-c2ccc(CN3CC(F)(F)C3)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(CN3CCCC3=O)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2ccc(S(=O)(=O)C(C)C)cc2)c2nncn12.COc1ccccc1CCc1ccc(-c2cncnc2)c2nncn12.
What is the InChIKey of 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?
The InChIKey is KVQYZAFPOYRCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2.C25H24F2N4O.C24H25N3O3S.C23H23N3O3S.C19H17N5O/c1-32-24-6-3-2-5-21(24)12-13-22-14-15-23(26-28-27-18-30(22)26)20-10-8-19(9-11-20)17-29-16-4-7-25(29)31;1-32-23-5-3-2-4-20(23)10-11-21-12-13-22(24-29-28-17-31(21)24)19-8-6-18(7-9-19)14-30-15-25(26,27)16-30;1-17(2)31(28,29)21-13-9-18(10-14-21)22-15-12-20(27-16-25-26-24(22)27)11-8-19-6-4-5-7-23(19)30-3;1-3-30(27,28)20-13-9-17(10-14-20)21-15-12-19(26-16-24-25-23(21)26)11-8-18-6-4-5-7-22(18)29-2;1-25-18-5-3-2-4-14(18)6-7-16-8-9-17(15-10-20-12-21-11-15)19-23-22-13-24(16)19/h2-3,5-6,8-11,14-15,18H,4,7,12-13,16-17H2,1H3;2-9,12-13,17H,10-11,14-16H2,1H3;4-7,9-10,12-17H,8,11H2,1-3H3;4-7,9-10,12-16H,3,8,11H2,1-2H3;2-5,8-13H,6-7H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2049.46 g/mol, XLogP of 20.29, 33 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159254061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).