2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone

C160H172Cl3F7N18O9S2 — CID 161069300

IUPAC2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)cnc3C(F)(F)F)cc2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5=CCC(F)(F)CC5)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CCC(F)(F)CC5)c4)c3)c(Cl)c2)CC1.Cc1cc(S(=O)(=O)NC(=O)NC(C)C)ccc1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.Cc1cc(S(C)(=O)=O)ccc1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1
InChIInChI=1S/C29H30ClF2N3O.C29H28ClF2N3O.C28H30F3N3O.C27H30ClN3O.C25H30N4O3S.C22H24N2O2S/c2*1-19-7-12-35(13-8-19)28(36)22-2-3-25(26(30)15-22)24-14-23(17-33-18-24)21-6-11-34-27(16-21)20-4-9-29(31,32)10-5-20;1-18-10-13-34(14-11-18)26(35)20-7-5-19(6-8-20)23-15-22(17-33-25(23)28(29,30)31)21-9-12-32-24(16-21)27(2,3)4;1-18-6-5-11-31(17-18)26(32)20-7-8-23(24(28)13-20)22-12-21(15-29-16-22)19-9-10-30-25(14-19)27(2,3)4;1-16(2)28-24(30)29-33(31,32)21-7-8-22(17(3)11-21)20-12-19(14-26-15-20)18-9-10-27-23(13-18)25(4,5)6;1-15-10-19(27(5,25)26)6-7-20(15)18-11-17(13-23-14-18)16-8-9-24-21(12-16)22(2,3)4/h2-3,6,11,14-20H,4-5,7-10,12-13H2,1H3;2-4,6,11,14-19H,5,7-10,12-13H2,1H3;5-9,12,15-18H,10-11,13-14H2,1-4H3;7-10,12-16,18H,5-6,11,17H2,1-4H3;7-16H,1-6H3,(H2,28,29,30);6-14H,1-5H3
InChIKeyUELFMGNTOWLZLW-UHFFFAOYSA-N
MW2794.73 g/mol
LogP38.43
Rot. Bonds22

About 2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone

2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 161069300) has the molecular formula C160H172Cl3F7N18O9S2 and a molecular weight of 2794.73 g/mol. Its IUPAC name is 2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID161069300
Molecular FormulaC160H172Cl3F7N18O9S2
Molecular Weight2794.73 g/mol
Exact Mass2791.19
IUPAC Name2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)cnc3C(F)(F)F)cc2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5=CCC(F)(F)CC5)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CCC(F)(F)CC5)c4)c3)c(Cl)c2)CC1.Cc1cc(S(=O)(=O)NC(=O)NC(C)C)ccc1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.Cc1cc(S(C)(=O)=O)ccc1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1
InChIInChI=1S/C29H30ClF2N3O.C29H28ClF2N3O.C28H30F3N3O.C27H30ClN3O.C25H30N4O3S.C22H24N2O2S/c2*1-19-7-12-35(13-8-19)28(36)22-2-3-25(26(30)15-22)24-14-23(17-33-18-24)21-6-11-34-27(16-21)20-4-9-29(31,32)10-5-20;1-18-10-13-34(14-11-18)26(35)20-7-5-19(6-8-20)23-15-22(17-33-25(23)28(29,30)31)21-9-12-32-24(16-21)27(2,3)4;1-18-6-5-11-31(17-18)26(32)20-7-8-23(24(28)13-20)22-12-21(15-29-16-22)19-9-10-30-25(14-19)27(2,3)4;1-16(2)28-24(30)29-33(31,32)21-7-8-22(17(3)11-21)20-12-19(14-26-15-20)18-9-10-27-23(13-18)25(4,5)6;1-15-10-19(27(5,25)26)6-7-20(15)18-11-17(13-23-14-18)16-8-9-24-21(12-16)22(2,3)4/h2-3,6,11,14-20H,4-5,7-10,12-13H2,1H3;2-4,6,11,14-19H,5,7-10,12-13H2,1H3;5-9,12,15-18H,10-11,13-14H2,1-4H3;7-10,12-16,18H,5-6,11,17H2,1-4H3;7-16H,1-6H3,(H2,28,29,30);6-14H,1-5H3
InChIKeyUELFMGNTOWLZLW-UHFFFAOYSA-N
XLogP38.43
TPSA345.33 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002794.73
LogP ≤ 538.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[3-tert-butyl-5-(2-chlorophenyl)-4-fluorophenyl]ethanone;2-tert-butyl-6-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]pyridine;1-tert-butyl-2-fluoro-3-(2-methyl-5-methylsulfanylphenyl)benzene;tris(1-[3-tert-butyl-4-fluoro-5-(2-methylphenyl)phenyl]ethanone);2-tert-butyl-6-(2-methyl-5-methylsulfinylphenyl)pyridine;tetrakis(1-[2-tert-butyl-6-(2-methylphenyl)-4-pyridinyl]ethanone);3-(6-tert-butyl-2-pyridinyl)-4-methyl-N-methylsulfonylbenzamide
CID 157128751
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157213887
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157282964
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-ethylpiperazin-1-yl)sulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-piperazin-1-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 157391405
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 158573984
1-chloro-2-methyl-4-propan-2-ylbenzene;bis(1-fluoro-2-methyl-4-propan-2-ylbenzene);2-fluoro-5-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;2-propan-2-ylaniline;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfinamide;4-propan-2-ylbenzenesulfinamide;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;N-(2-propan-2-ylphenyl)formamide;(2-propan-2-ylphenyl)methanesulfinate;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1-propan-2-yl-4-(trifluoromethyl)benzene;sulfur monoxide
CID 159024313
N-[4-(benzenesulfonyl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide;N-[4-(benzenesulfonyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;4-(3-chloro-2-pyridinyl)-N-(4-methylsulfonylphenyl)benzamide;N-[4-(dimethylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;methane;N-[4-(4-methylphenyl)sulfonylphenyl]-4-(3-methylsulfonyl-2-pyridinyl)benzamide
CID 159182297
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide;N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylbenzamide
CID 159604811
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methanesulfonamido)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidin-4-ylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 159665512
4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-cyclopropylsulfonylbenzamide;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;methyl 4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoate
CID 159896841
2-Tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]ethanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 159970418
2-tert-butyl-4-[5-[2-methyl-4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]-(4-methylpiperidin-1-yl)methanone;4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methyl-N-propan-2-ylbenzenesulfonamide;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxetan-3-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 159981427

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of 2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 161069300) is 2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for 2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)C1.CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)cnc3C(F)(F)F)cc2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5=CCC(F)(F)CC5)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CCC(F)(F)CC5)c4)c3)c(Cl)c2)CC1.Cc1cc(S(=O)(=O)NC(=O)NC(C)C)ccc1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.Cc1cc(S(C)(=O)=O)ccc1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.
What is the InChIKey of 2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UELFMGNTOWLZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClF2N3O.C29H28ClF2N3O.C28H30F3N3O.C27H30ClN3O.C25H30N4O3S.C22H24N2O2S/c2*1-19-7-12-35(13-8-19)28(36)22-2-3-25(26(30)15-22)24-14-23(17-33-18-24)21-6-11-34-27(16-21)20-4-9-29(31,32)10-5-20;1-18-10-13-34(14-11-18)26(35)20-7-5-19(6-8-20)23-15-22(17-33-25(23)28(29,30)31)21-9-12-32-24(16-21)27(2,3)4;1-18-6-5-11-31(17-18)26(32)20-7-8-23(24(28)13-20)22-12-21(15-29-16-22)19-9-10-30-25(14-19)27(2,3)4;1-16(2)28-24(30)29-33(31,32)21-7-8-22(17(3)11-21)20-12-19(14-26-15-20)18-9-10-27-23(13-18)25(4,5)6;1-15-10-19(27(5,25)26)6-7-20(15)18-11-17(13-23-14-18)16-8-9-24-21(12-16)22(2,3)4/h2-3,6,11,14-20H,4-5,7-10,12-13H2,1H3;2-4,6,11,14-19H,5,7-10,12-13H2,1H3;5-9,12,15-18H,10-11,13-14H2,1-4H3;7-10,12-16,18H,5-6,11,17H2,1-4H3;7-16H,1-6H3,(H2,28,29,30);6-14H,1-5H3.
What are the key properties of 2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?
2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 2794.73 g/mol, XLogP of 38.43, 22 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[5-(2-methyl-4-methylsulfonylphenyl)-3-pyridinyl]pyridine;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;1-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-methylphenyl]sulfonyl-3-propan-2-ylurea;[4-[5-(2-tert-butyl-4-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexen-1-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(4,4-difluorocyclohexyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 161069300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).