[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone

C140H159Cl6F3N14O7S7 — CID 157449633

IUPAC[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)CC1.CC1CCN(C(=O)c2cccc(CSc3ccc(C(C)C)cc3)n2)CC1.CC1CCN(C(=O)c2cccc(CSc3ccc(Cl)cc3Cl)n2)CC1.CC1CCN(C(=O)c2cccc(CSc3cccc(C(C)(F)F)c3)n2)CC1.CC1CCN(C(=O)c2cccc(CSc3ccccc3F)n2)CC1.Cc1cc(Cl)cc(SCc2cccc(C(=O)N3CCC(C)CC3)n2)c1.Cc1cccc(SCc2cccc(C(=O)N3CCC(C)CC3)n2)c1Cl
InChIInChI=1S/C22H28N2OS.C21H24F2N2OS.2C20H23ClN2OS.2C19H20Cl2N2OS.C19H21FN2OS/c1-16(2)18-7-9-20(10-8-18)26-15-19-5-4-6-21(23-19)22(25)24-13-11-17(3)12-14-24;1-15-9-11-25(12-10-15)20(26)19-8-4-6-17(24-19)14-27-18-7-3-5-16(13-18)21(2,22)23;1-14-9-11-23(12-10-14)20(24)17-7-4-6-16(22-17)13-25-18-8-3-5-15(2)19(18)21;1-14-6-8-23(9-7-14)20(24)19-5-3-4-17(22-19)13-25-18-11-15(2)10-16(21)12-18;1-13-8-10-23(11-9-13)19(24)17-7-2-4-14(22-17)12-25-18-15(20)5-3-6-16(18)21;1-13-7-9-23(10-8-13)19(24)17-4-2-3-15(22-17)12-25-18-6-5-14(20)11-16(18)21;1-14-9-11-22(12-10-14)19(23)17-7-4-5-15(21-17)13-24-18-8-3-2-6-16(18)20/h4-10,16-17H,11-15H2,1-3H3;3-8,13,15H,9-12,14H2,1-2H3;3-8,14H,9-13H2,1-2H3;3-5,10-12,14H,6-9,13H2,1-2H3;2-7,13H,8-12H2,1H3;2-6,11,13H,7-10,12H2,1H3;2-8,14H,9-13H2,1H3
InChIKeyBSQKZUOIHVNVAP-UHFFFAOYSA-N
MW2644.08 g/mol
LogP36.63
Rot. Bonds30

About [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone

[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone (PubChem CID 157449633) has the molecular formula C140H159Cl6F3N14O7S7 and a molecular weight of 2644.08 g/mol. Its IUPAC name is [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone
PubChem CID157449633
Molecular FormulaC140H159Cl6F3N14O7S7
Molecular Weight2644.08 g/mol
Exact Mass2638.86
IUPAC Name[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)CC1.CC1CCN(C(=O)c2cccc(CSc3ccc(C(C)C)cc3)n2)CC1.CC1CCN(C(=O)c2cccc(CSc3ccc(Cl)cc3Cl)n2)CC1.CC1CCN(C(=O)c2cccc(CSc3cccc(C(C)(F)F)c3)n2)CC1.CC1CCN(C(=O)c2cccc(CSc3ccccc3F)n2)CC1.Cc1cc(Cl)cc(SCc2cccc(C(=O)N3CCC(C)CC3)n2)c1.Cc1cccc(SCc2cccc(C(=O)N3CCC(C)CC3)n2)c1Cl
InChIInChI=1S/C22H28N2OS.C21H24F2N2OS.2C20H23ClN2OS.2C19H20Cl2N2OS.C19H21FN2OS/c1-16(2)18-7-9-20(10-8-18)26-15-19-5-4-6-21(23-19)22(25)24-13-11-17(3)12-14-24;1-15-9-11-25(12-10-15)20(26)19-8-4-6-17(24-19)14-27-18-7-3-5-16(13-18)21(2,22)23;1-14-9-11-23(12-10-14)20(24)17-7-4-6-16(22-17)13-25-18-8-3-5-15(2)19(18)21;1-14-6-8-23(9-7-14)20(24)19-5-3-4-17(22-19)13-25-18-11-15(2)10-16(21)12-18;1-13-8-10-23(11-9-13)19(24)17-7-2-4-14(22-17)12-25-18-15(20)5-3-6-16(18)21;1-13-7-9-23(10-8-13)19(24)17-4-2-3-15(22-17)12-25-18-6-5-14(20)11-16(18)21;1-14-9-11-22(12-10-14)19(23)17-7-4-5-15(21-17)13-24-18-8-3-2-6-16(18)20/h4-10,16-17H,11-15H2,1-3H3;3-8,13,15H,9-12,14H2,1-2H3;3-8,14H,9-13H2,1-2H3;3-5,10-12,14H,6-9,13H2,1-2H3;2-7,13H,8-12H2,1H3;2-6,11,13H,7-10,12H2,1H3;2-8,14H,9-13H2,1H3
InChIKeyBSQKZUOIHVNVAP-UHFFFAOYSA-N
XLogP36.63
TPSA232.40 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002644.08
LogP ≤ 536.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N,N-diethylpyridine-2-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;N-[1-[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]ethenyl]-2,2,2-trifluoroethanamine;[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[(3R)-3-ethyl-3,5,5-trimethylazepan-1-yl]methanone
CID 157173627
Azocan-1-yl-[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;(2-propylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone
CID 158032931
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone;bis([6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone);[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 158180156
Azocan-1-yl-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;(2,6-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone;(2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]methanone
CID 158823625
[6-[(5-Tert-butyl-2-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;2-[1-(4-methylpiperidin-1-yl)ethenyl]-6-[[2-(trifluoromethyl)phenyl]sulfonylmethyl]pyridine
CID 159169699
N-cyclohexyl-6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-2-pyridinyl]methanone;N-(4-methylcyclohexyl)-6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine-2-carboxamide;(4-methylpiperidin-1-yl)-[6-[(2,3,5-trichloro-6-methyl-4-pyridinyl)sulfanylmethyl]-2-pyridinyl]methanone
CID 160308912
[6-[[3-(1,1-Difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-2-pyridinyl]methanone;(3-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-2-pyridinyl]methanone
CID 161757995
1-[6-[(2-Chloro-3-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidine-3-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 123368953
1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]-N,N-diethylpiperidine-3-carboxamide;1-[1-[6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidin-3-yl]ethanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 123397285
6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-cyclohexylpyridine-2-carboxamide;6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 123680244
[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2,5-dimethylpyrrolidin-1-yl)methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[(2,5-dichloro-4-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(4-propylpiperidin-1-yl)methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-[(2,4,5-trichlorophenyl)sulfonylmethyl]-2-pyridinyl]methanone
CID 157702687
N-cyclohexyl-6-[(2,4-dichlorophenyl)sulfanylmethyl]pyridine-2-carboxamide;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 157843715

Frequently Asked Questions

What is the IUPAC name of [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone?
The IUPAC name of [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone (CID 157449633) is [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone.
What is the SMILES notation for [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone?
The canonical SMILES for [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone is CC1CCN(C(=O)c2cccc(CSc3c(Cl)cccc3Cl)n2)CC1.CC1CCN(C(=O)c2cccc(CSc3ccc(C(C)C)cc3)n2)CC1.CC1CCN(C(=O)c2cccc(CSc3ccc(Cl)cc3Cl)n2)CC1.CC1CCN(C(=O)c2cccc(CSc3cccc(C(C)(F)F)c3)n2)CC1.CC1CCN(C(=O)c2cccc(CSc3ccccc3F)n2)CC1.Cc1cc(Cl)cc(SCc2cccc(C(=O)N3CCC(C)CC3)n2)c1.Cc1cccc(SCc2cccc(C(=O)N3CCC(C)CC3)n2)c1Cl.
What is the InChIKey of [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone?
The InChIKey is BSQKZUOIHVNVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2OS.C21H24F2N2OS.2C20H23ClN2OS.2C19H20Cl2N2OS.C19H21FN2OS/c1-16(2)18-7-9-20(10-8-18)26-15-19-5-4-6-21(23-19)22(25)24-13-11-17(3)12-14-24;1-15-9-11-25(12-10-15)20(26)19-8-4-6-17(24-19)14-27-18-7-3-5-16(13-18)21(2,22)23;1-14-9-11-23(12-10-14)20(24)17-7-4-6-16(22-17)13-25-18-8-3-5-15(2)19(18)21;1-14-6-8-23(9-7-14)20(24)19-5-3-4-17(22-19)13-25-18-11-15(2)10-16(21)12-18;1-13-8-10-23(11-9-13)19(24)17-7-2-4-14(22-17)12-25-18-15(20)5-3-6-16(18)21;1-13-7-9-23(10-8-13)19(24)17-4-2-3-15(22-17)12-25-18-6-5-14(20)11-16(18)21;1-14-9-11-22(12-10-14)19(23)17-7-4-5-15(21-17)13-24-18-8-3-2-6-16(18)20/h4-10,16-17H,11-15H2,1-3H3;3-8,13,15H,9-12,14H2,1-2H3;3-8,14H,9-13H2,1-2H3;3-5,10-12,14H,6-9,13H2,1-2H3;2-7,13H,8-12H2,1H3;2-6,11,13H,7-10,12H2,1H3;2-8,14H,9-13H2,1H3.
What are the key properties of [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone?
[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone has a molecular weight of 2644.08 g/mol, XLogP of 36.63, 30 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(3-chloro-5-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,4-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenyl]sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;[6-[(2-fluorophenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone;(4-methylpiperidin-1-yl)-[6-[(4-propan-2-ylphenyl)sulfanylmethyl]-2-pyridinyl]methanone is sourced from PubChem (CID 157449633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).