4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine

C88H71F2N13OS5 — CID 161250219

IUPAC4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine
SMILESCOc1cccc(-c2ccc(C#Cc3csc(C)n3)cn2)c1F.Cc1cccc(-c2ccc(C#Cc3csc(C)n3)cn2)c1.Cc1nc(C#Cc2ccc(-c3ccc(F)c(C)c3)nc2)cs1.Cc1nc(C#Cc2ccc(N(C)c3ccccn3)nc2)cs1.Cc1nc(C#Cc2ccc(N3C4CCC3CC4)nc2)cs1
InChIInChI=1S/C18H13FN2OS.C18H13FN2S.C18H14N2S.C17H14N4S.C17H17N3S/c1-12-21-14(11-23-12)8-6-13-7-9-16(20-10-13)15-4-3-5-17(22-2)18(15)19;1-12-9-15(5-7-17(12)19)18-8-4-14(10-20-18)3-6-16-11-22-13(2)21-16;1-13-4-3-5-16(10-13)18-9-7-15(11-19-18)6-8-17-12-21-14(2)20-17;1-13-20-15(12-22-13)8-6-14-7-9-17(19-11-14)21(2)16-5-3-4-10-18-16;1-12-19-14(11-21-12)4-2-13-3-9-17(18-10-13)20-15-5-6-16(20)8-7-15/h3-5,7,9-11H,1-2H3;4-5,7-11H,1-2H3;3-5,7,9-12H,1-2H3;3-5,7,9-12H,1-2H3;3,9-11,15-16H,5-8H2,1H3
InChIKeyVBEAGJPJFJNSIC-UHFFFAOYSA-N
MW1524.96 g/mol
LogP19.43
Rot. Bonds7

About 4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine

4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 161250219) has the molecular formula C88H71F2N13OS5 and a molecular weight of 1524.96 g/mol. Its IUPAC name is 4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID161250219
Molecular FormulaC88H71F2N13OS5
Molecular Weight1524.96 g/mol
Exact Mass1523.45
IUPAC Name4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine
SMILESCOc1cccc(-c2ccc(C#Cc3csc(C)n3)cn2)c1F.Cc1cccc(-c2ccc(C#Cc3csc(C)n3)cn2)c1.Cc1nc(C#Cc2ccc(-c3ccc(F)c(C)c3)nc2)cs1.Cc1nc(C#Cc2ccc(N(C)c3ccccn3)nc2)cs1.Cc1nc(C#Cc2ccc(N3C4CCC3CC4)nc2)cs1
InChIInChI=1S/C18H13FN2OS.C18H13FN2S.C18H14N2S.C17H14N4S.C17H17N3S/c1-12-21-14(11-23-12)8-6-13-7-9-16(20-10-13)15-4-3-5-17(22-2)18(15)19;1-12-9-15(5-7-17(12)19)18-8-4-14(10-20-18)3-6-16-11-22-13(2)21-16;1-13-4-3-5-16(10-13)18-9-7-15(11-19-18)6-8-17-12-21-14(2)20-17;1-13-20-15(12-22-13)8-6-14-7-9-17(19-11-14)21(2)16-5-3-4-10-18-16;1-12-19-14(11-21-12)4-2-13-3-9-17(18-10-13)20-15-5-6-16(20)8-7-15/h3-5,7,9-11H,1-2H3;4-5,7-11H,1-2H3;3-5,7,9-12H,1-2H3;3-5,7,9-12H,1-2H3;3,9-11,15-16H,5-8H2,1H3
InChIKeyVBEAGJPJFJNSIC-UHFFFAOYSA-N
XLogP19.43
TPSA157.50 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001524.96
LogP ≤ 519.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 157310289
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;4-methyl-2-propan-2-yl-1,3-thiazole;bis(5-methyl-2-propan-2-yl-1,3-thiazole);1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 157317069
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 157513480
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;1-phenyl-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-4-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 158648625
4-(3-chlorophenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(3-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine;4-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole;N,4-diphenyl-1,3-thiazol-2-amine;4-(3-methoxyphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 159061813
4-[2-[6-(5-Azatricyclo[4.2.0.01,4]octan-5-yl)pyridin-1-ium-3-yl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-ethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;2,2,2-trifluoroacetate
CID 159316812
4-[2-(5-cyclopropylpyridin-1-ium-3-yl)ethynyl]-2-methyl-1,3-thiazol-3-ium;4-[2-(5-ethenyl-3-pyridinyl)ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]ethynyl]-1,3-thiazole;2-methyl-4-[2-(5-methyl-3-pyridinyl)ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-3-ylpyridin-3-amine;2-methyl-4-[2-(6-phenoxy-3-pyridinyl)ethynyl]-1,3-thiazol-3-ium;2-methyl-4-[2-[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethynyl]-1,3-thiazole;trichloride
CID 159324224
1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene
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1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;1-propan-2-yl-3-(trifluoromethyl)benzene
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1-Cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-fluoro-3-methyl-5-propan-2-ylbenzene;1-fluoro-4-methyl-2-propan-2-ylbenzene;2-fluoro-1-methyl-3-propan-2-ylbenzene;methane;bis(1-methyl-3-propan-2-ylbenzene);2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;1-phenoxy-3-propan-2-ylbenzene;bis(1-(3-propan-2-ylphenyl)piperidine);1-(3-propan-2-ylphenyl)pyrrolidine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
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4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-fluoro-3-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-1-ium-2-yl]benzonitrile;4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(4-methylphenyl)pyridin-1-ium-3-yl]ethynyl]-1,3-thiazol-3-ium;N-methyl-5-[2-(2-methyl-1,3-thiazol-3-ium-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine;tetrachloride
CID 157246107
4-(3,4-Difluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(4-fluorophenyl)-2-phenyl-1,3-thiazole;4-(4-fluorophenyl)-2-piperidin-1-yl-1,3-thiazole;4-(2-methoxyphenyl)-2-piperidin-1-yl-1,3-thiazole;4-(3-methylphenyl)-2-piperidin-1-yl-1,3-thiazole;bis(4-phenyl-2-piperidin-1-yl-1,3-thiazole)
CID 157417706

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine (CID 161250219) is 4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine is COc1cccc(-c2ccc(C#Cc3csc(C)n3)cn2)c1F.Cc1cccc(-c2ccc(C#Cc3csc(C)n3)cn2)c1.Cc1nc(C#Cc2ccc(-c3ccc(F)c(C)c3)nc2)cs1.Cc1nc(C#Cc2ccc(N(C)c3ccccn3)nc2)cs1.Cc1nc(C#Cc2ccc(N3C4CCC3CC4)nc2)cs1.
What is the InChIKey of 4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is VBEAGJPJFJNSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS.C18H13FN2S.C18H14N2S.C17H14N4S.C17H17N3S/c1-12-21-14(11-23-12)8-6-13-7-9-16(20-10-13)15-4-3-5-17(22-2)18(15)19;1-12-9-15(5-7-17(12)19)18-8-4-14(10-20-18)3-6-16-11-22-13(2)21-16;1-13-4-3-5-16(10-13)18-9-7-15(11-19-18)6-8-17-12-21-14(2)20-17;1-13-20-15(12-22-13)8-6-14-7-9-17(19-11-14)21(2)16-5-3-4-10-18-16;1-12-19-14(11-21-12)4-2-13-3-9-17(18-10-13)20-15-5-6-16(20)8-7-15/h3-5,7,9-11H,1-2H3;4-5,7-11H,1-2H3;3-5,7,9-12H,1-2H3;3-5,7,9-12H,1-2H3;3,9-11,15-16H,5-8H2,1H3.
What are the key properties of 4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine?
4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 1524.96 g/mol, XLogP of 19.43, 7 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(7-azabicyclo[2.2.1]heptan-7-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(2-fluoro-3-methoxyphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluoro-3-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;2-methyl-4-[2-[6-(3-methylphenyl)-3-pyridinyl]ethynyl]-1,3-thiazole;N-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 161250219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).