4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C143H155Cl7F19N21O23S — CID 158282339

IUPAC4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESC=S(=O)(c1ccc(NC(=O)N2CCC(F)(c3ncc([C@H](O)CO)cc3Cl)CC2)cc1)C(F)(F)F.Cc1cc(NC(=O)N2CCC(F)(c3ncc([C@H](O)CO)cc3Cl)CC2)ccc1C(F)(F)F.Cc1cc(NC(=O)N2CCC(F)(c3ncc([C@H](O)CO)cc3Cl)CC2)ccc1OC(F)(F)F.Cc1ccc(NC(=O)N2CCC(F)(c3ncc(C(O)CO)cc3Cl)CC2)cc1.Cc1ccc(NC(=O)N2CCC(F)(c3ncc([C@@H](O)CO)cc3Cl)CC2)cc1.Cc1ccc(NC(=O)N2CCC(F)(c3ncc([C@H](O)CO)cc3Cl)CC2)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncc([C@H](O)CO)cc2Cl)CC1
InChIInChI=1S/C21H22ClF4N3O4S.C21H22ClF4N3O4.C21H22ClF4N3O3.C20H20ClF4N3O3.3C20H23ClFN3O3/c1-34(33,21(24,25)26)15-4-2-14(3-5-15)28-19(32)29-8-6-20(23,7-9-29)18-16(22)10-13(11-27-18)17(31)12-30;1-12-8-14(2-3-17(12)33-21(24,25)26)28-19(32)29-6-4-20(23,5-7-29)18-15(22)9-13(10-27-18)16(31)11-30;1-12-8-14(2-3-15(12)21(24,25)26)28-19(32)29-6-4-20(23,5-7-29)18-16(22)9-13(10-27-18)17(31)11-30;21-15-9-12(16(30)11-29)10-26-17(15)19(22)5-7-28(8-6-19)18(31)27-14-3-1-13(2-4-14)20(23,24)25;3*1-13-2-4-15(5-3-13)24-19(28)25-8-6-20(22,7-9-25)18-16(21)10-14(11-23-18)17(27)12-26/h2-5,10-11,17,30-31H,1,6-9,12H2,(H,28,32);2-3,8-10,16,30-31H,4-7,11H2,1H3,(H,28,32);2-3,8-10,17,30-31H,4-7,11H2,1H3,(H,28,32);1-4,9-10,16,29-30H,5-8,11H2,(H,27,31);3*2-5,10-11,17,26-27H,6-9,12H2,1H3,(H,24,28)/t17-,34?;16-;17-;16-;2*17-;/m111110./s1
InChIKeyGKIYNFUKAJFNNT-AQQWARRFSA-N
MW3177.14 g/mol
LogP27.85
Rot. Bonds30

About 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 158282339) has the molecular formula C143H155Cl7F19N21O23S and a molecular weight of 3177.14 g/mol. Its IUPAC name is 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID158282339
Molecular FormulaC143H155Cl7F19N21O23S
Molecular Weight3177.14 g/mol
Exact Mass3171.88
IUPAC Name4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESC=S(=O)(c1ccc(NC(=O)N2CCC(F)(c3ncc([C@H](O)CO)cc3Cl)CC2)cc1)C(F)(F)F.Cc1cc(NC(=O)N2CCC(F)(c3ncc([C@H](O)CO)cc3Cl)CC2)ccc1C(F)(F)F.Cc1cc(NC(=O)N2CCC(F)(c3ncc([C@H](O)CO)cc3Cl)CC2)ccc1OC(F)(F)F.Cc1ccc(NC(=O)N2CCC(F)(c3ncc(C(O)CO)cc3Cl)CC2)cc1.Cc1ccc(NC(=O)N2CCC(F)(c3ncc([C@@H](O)CO)cc3Cl)CC2)cc1.Cc1ccc(NC(=O)N2CCC(F)(c3ncc([C@H](O)CO)cc3Cl)CC2)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncc([C@H](O)CO)cc2Cl)CC1
InChIInChI=1S/C21H22ClF4N3O4S.C21H22ClF4N3O4.C21H22ClF4N3O3.C20H20ClF4N3O3.3C20H23ClFN3O3/c1-34(33,21(24,25)26)15-4-2-14(3-5-15)28-19(32)29-8-6-20(23,7-9-29)18-16(22)10-13(11-27-18)17(31)12-30;1-12-8-14(2-3-17(12)33-21(24,25)26)28-19(32)29-6-4-20(23,5-7-29)18-15(22)9-13(10-27-18)16(31)11-30;1-12-8-14(2-3-15(12)21(24,25)26)28-19(32)29-6-4-20(23,5-7-29)18-16(22)9-13(10-27-18)17(31)11-30;21-15-9-12(16(30)11-29)10-26-17(15)19(22)5-7-28(8-6-19)18(31)27-14-3-1-13(2-4-14)20(23,24)25;3*1-13-2-4-15(5-3-13)24-19(28)25-8-6-20(22,7-9-25)18-16(21)10-14(11-23-18)17(27)12-26/h2-5,10-11,17,30-31H,1,6-9,12H2,(H,28,32);2-3,8-10,16,30-31H,4-7,11H2,1H3,(H,28,32);2-3,8-10,17,30-31H,4-7,11H2,1H3,(H,28,32);1-4,9-10,16,29-30H,5-8,11H2,(H,27,31);3*2-5,10-11,17,26-27H,6-9,12H2,1H3,(H,24,28)/t17-,34?;16-;17-;16-;2*17-;/m111110./s1
InChIKeyGKIYNFUKAJFNNT-AQQWARRFSA-N
XLogP27.85
TPSA626.13 Ų
H-Bond Donors21
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003177.14
LogP ≤ 527.85
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 25104486
bis(4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide);4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-propan-2-yl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
CID 157320500
azane;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;(1S)-1-[5-chloro-6-(4-fluoropiperidin-4-yl)-3-pyridinyl]ethane-1,2-diol;1-isocyanato-4-(trifluoromethyl)benzene
CID 158896849
4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide;N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-4-fluoropiperidine-1-carboxamide
CID 162052613
4-fluoro-4-(3-fluoro-2-pyridinyl)-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;methane
CID 159531960
4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[5-(fluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
CID 121399859
4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11349537
4-(3-chloro-2-pyridinyl)-4-fluoro-N-[4-(trifluoromethylsulfonyl)phenyl]piperidine-1-carboxamide
CID 71165123
4-fluoro-4-[3-fluoro-5-[(1R)-1-hydroxy-2-nitrosoethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
CID 162556314
4-(2,4-dimethylphenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 55696343
4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydropyridin-2-yl]-N-[3-chloro-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 162544792
2-(2,4-dimethylphenoxy)-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 24543647

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 158282339) is 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is C=S(=O)(c1ccc(NC(=O)N2CCC(F)(c3ncc([C@H](O)CO)cc3Cl)CC2)cc1)C(F)(F)F.Cc1cc(NC(=O)N2CCC(F)(c3ncc([C@H](O)CO)cc3Cl)CC2)ccc1C(F)(F)F.Cc1cc(NC(=O)N2CCC(F)(c3ncc([C@H](O)CO)cc3Cl)CC2)ccc1OC(F)(F)F.Cc1ccc(NC(=O)N2CCC(F)(c3ncc(C(O)CO)cc3Cl)CC2)cc1.Cc1ccc(NC(=O)N2CCC(F)(c3ncc([C@@H](O)CO)cc3Cl)CC2)cc1.Cc1ccc(NC(=O)N2CCC(F)(c3ncc([C@H](O)CO)cc3Cl)CC2)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(F)(c2ncc([C@H](O)CO)cc2Cl)CC1.
What is the InChIKey of 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is GKIYNFUKAJFNNT-AQQWARRFSA-N. The full InChI is InChI=1S/C21H22ClF4N3O4S.C21H22ClF4N3O4.C21H22ClF4N3O3.C20H20ClF4N3O3.3C20H23ClFN3O3/c1-34(33,21(24,25)26)15-4-2-14(3-5-15)28-19(32)29-8-6-20(23,7-9-29)18-16(22)10-13(11-27-18)17(31)12-30;1-12-8-14(2-3-17(12)33-21(24,25)26)28-19(32)29-6-4-20(23,5-7-29)18-15(22)9-13(10-27-18)16(31)11-30;1-12-8-14(2-3-15(12)21(24,25)26)28-19(32)29-6-4-20(23,5-7-29)18-16(22)9-13(10-27-18)17(31)11-30;21-15-9-12(16(30)11-29)10-26-17(15)19(22)5-7-28(8-6-19)18(31)27-14-3-1-13(2-4-14)20(23,24)25;3*1-13-2-4-15(5-3-13)24-19(28)25-8-6-20(22,7-9-25)18-16(21)10-14(11-23-18)17(27)12-26/h2-5,10-11,17,30-31H,1,6-9,12H2,(H,28,32);2-3,8-10,16,30-31H,4-7,11H2,1H3,(H,28,32);2-3,8-10,17,30-31H,4-7,11H2,1H3,(H,28,32);1-4,9-10,16,29-30H,5-8,11H2,(H,27,31);3*2-5,10-11,17,26-27H,6-9,12H2,1H3,(H,24,28)/t17-,34?;16-;17-;16-;2*17-;/m111110./s1.
What are the key properties of 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 3177.14 g/mol, XLogP of 27.85, 30 rotatable bonds, 21 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-[methylidene-oxo-(trifluoromethyl)-λ6-sulfanyl]phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-(1,2-dihydroxyethyl)-2-pyridinyl]-4-fluoro-N-(4-methylphenyl)piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-4-fluoro-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 158282339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).