2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone

C119H101F5N22O13S3 — CID 162231162

IUPAC2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCC(F)(F)c1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)c1.CC(F)(F)c1csc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.CN(c1cccnc1)c1ccnc(C(=O)Cc2nccs2)c1.Cc1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)cc1F.Cn1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.O=C(CC1CCCCC1)c1cc(Oc2cncnc2)ccn1.O=C(Cc1nccs1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C20H16F2N2O2.C19H15FN2O2.C17H13F2N3O2S.C17H19N3O2.C16H14N4O2.C16H14N4OS.C14H10N4O2S/c1-20(21,22)15-5-2-4-14(10-15)11-19(25)18-12-16(7-9-24-18)26-17-6-3-8-23-13-17;1-13-4-5-14(9-17(13)20)10-19(23)18-11-15(6-8-22-18)24-16-3-2-7-21-12-16;1-17(18,19)15-10-25-16(22-15)8-14(23)13-7-11(4-6-21-13)24-12-3-2-5-20-9-12;21-17(8-13-4-2-1-3-5-13)16-9-14(6-7-20-16)22-15-10-18-12-19-11-15;1-20-8-5-12(19-20)9-16(21)15-10-13(4-7-18-15)22-14-3-2-6-17-11-14;1-20(13-3-2-5-17-11-13)12-4-6-18-14(9-12)15(21)10-16-19-7-8-22-16;19-13(6-14-18-3-4-21-14)12-5-10(1-2-17-12)20-11-7-15-9-16-8-11/h2-10,12-13H,11H2,1H3;2-9,11-12H,10H2,1H3;2-7,9-10H,8H2,1H3;6-7,9-13H,1-5,8H2;2-8,10-11H,9H2,1H3;2-9,11H,10H2,1H3;1-5,7-9H,6H2
InChIKeyZVLHNFJCTCUKMK-UHFFFAOYSA-N
MW2238.45 g/mol
LogP25.13
Rot. Bonds37

About 2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone

2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 162231162) has the molecular formula C119H101F5N22O13S3 and a molecular weight of 2238.45 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID162231162
Molecular FormulaC119H101F5N22O13S3
Molecular Weight2238.45 g/mol
Exact Mass2236.70
IUPAC Name2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCC(F)(F)c1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)c1.CC(F)(F)c1csc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.CN(c1cccnc1)c1ccnc(C(=O)Cc2nccs2)c1.Cc1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)cc1F.Cn1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.O=C(CC1CCCCC1)c1cc(Oc2cncnc2)ccn1.O=C(Cc1nccs1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C20H16F2N2O2.C19H15FN2O2.C17H13F2N3O2S.C17H19N3O2.C16H14N4O2.C16H14N4OS.C14H10N4O2S/c1-20(21,22)15-5-2-4-14(10-15)11-19(25)18-12-16(7-9-24-18)26-17-6-3-8-23-13-17;1-13-4-5-14(9-17(13)20)10-19(23)18-11-15(6-8-22-18)24-16-3-2-7-21-12-16;1-17(18,19)15-10-25-16(22-15)8-14(23)13-7-11(4-6-21-13)24-12-3-2-5-20-9-12;21-17(8-13-4-2-1-3-5-13)16-9-14(6-7-20-16)22-15-10-18-12-19-11-15;1-20-8-5-12(19-20)9-16(21)15-10-13(4-7-18-15)22-14-3-2-6-17-11-14;1-20(13-3-2-5-17-11-13)12-4-6-18-14(9-12)15(21)10-16-19-7-8-22-16;19-13(6-14-18-3-4-21-14)12-5-10(1-2-17-12)20-11-7-15-9-16-8-11/h2-10,12-13H,11H2,1H3;2-9,11-12H,10H2,1H3;2-7,9-10H,8H2,1H3;6-7,9-13H,1-5,8H2;2-8,10-11H,9H2,1H3;2-9,11H,10H2,1H3;1-5,7-9H,6H2
InChIKeyZVLHNFJCTCUKMK-UHFFFAOYSA-N
XLogP25.13
TPSA440.84 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002238.45
LogP ≤ 525.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(1,1-Difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyrimidin-5-yloxyphenyl)ethanone
CID 123315204
2-[4-(1,1-Difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 123379050
6-(1,1-difluoroethyl)-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 123921060
1-benzofuran;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;2-ethyl-6-methoxypyridine;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-fluoro-3-methylpyridine;2-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 157457452
2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;3-ethynyl-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 158005809
2-(6-Fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(4-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(5-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(3-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone
CID 158452685
2-(5-Tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 158452847
2-Cycloheptyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 158534300
2-[4-(1,1-Difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 158556021
2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 158813592
1-benzyl-4-methylpyrazole;1,4-dimethylpyrazole;2,5-dimethylpyridine;5-fluoro-2-methylpyridine;hept-2-ene;(E)-1-methoxybut-2-ene;5-methoxy-2-methylpyridine;1-methoxy-3-[(E)-prop-1-enyl]benzene;1-methylcyclohexene;1-(4-methylphenyl)imidazole;5-(4-methylphenyl)-1,2,4-oxadiazole;3-(4-methylphenyl)-1,2-oxazole;1-(4-methylphenyl)pyrazole;2-(4-methylphenyl)-1,3-thiazole;2-methylpyridine;3-methylthiophene;2-methyl-5-(trifluoromethyl)pyridine;3,4,5-trimethyl-1,2-oxazole
CID 158933644
4,5-Dimethylpyrimidine;2-ethoxy-6-methylpyridine;2-ethyl-3-methylpyridine;4-methoxy-3-methylpyridazine;3-methyl-2-(2-methylpropyl)pyridine;3-methyl-2-(1-methylpyrazol-4-yl)pyridine;2-(3-methyl-2-pyridinyl)-1,3-oxazole;4-[(3-methyl-2-pyridinyl)oxymethyl]-1,3-thiazole;2-methylpyrimidine;1-methyl-5-(trifluoromethyl)pyrazole
CID 159382977

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone (CID 162231162) is 2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone is CC(F)(F)c1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)c1.CC(F)(F)c1csc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.CN(c1cccnc1)c1ccnc(C(=O)Cc2nccs2)c1.Cc1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)cc1F.Cn1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.O=C(CC1CCCCC1)c1cc(Oc2cncnc2)ccn1.O=C(Cc1nccs1)c1cc(Oc2cncnc2)ccn1.
What is the InChIKey of 2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is ZVLHNFJCTCUKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2.C19H15FN2O2.C17H13F2N3O2S.C17H19N3O2.C16H14N4O2.C16H14N4OS.C14H10N4O2S/c1-20(21,22)15-5-2-4-14(10-15)11-19(25)18-12-16(7-9-24-18)26-17-6-3-8-23-13-17;1-13-4-5-14(9-17(13)20)10-19(23)18-11-15(6-8-22-18)24-16-3-2-7-21-12-16;1-17(18,19)15-10-25-16(22-15)8-14(23)13-7-11(4-6-21-13)24-12-3-2-5-20-9-12;21-17(8-13-4-2-1-3-5-13)16-9-14(6-7-20-16)22-15-10-18-12-19-11-15;1-20-8-5-12(19-20)9-16(21)15-10-13(4-7-18-15)22-14-3-2-6-17-11-14;1-20(13-3-2-5-17-11-13)12-4-6-18-14(9-12)15(21)10-16-19-7-8-22-16;19-13(6-14-18-3-4-21-14)12-5-10(1-2-17-12)20-11-7-15-9-16-8-11/h2-10,12-13H,11H2,1H3;2-9,11-12H,10H2,1H3;2-7,9-10H,8H2,1H3;6-7,9-13H,1-5,8H2;2-8,10-11H,9H2,1H3;2-9,11H,10H2,1H3;1-5,7-9H,6H2.
What are the key properties of 2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 2238.45 g/mol, XLogP of 25.13, 37 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[3-(1,1-difluoroethyl)phenyl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]-2-(1,3-thiazol-2-yl)ethanone;1-(4-pyrimidin-5-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 162231162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).