1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

C147H157Cl2F15N24O14S5 — CID 167590699

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
SMILESCC1=CC(Nc2cccc(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)C(C)C3)n2)=NC1.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(C(F)(F)F)c1F.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(C)c1F.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(F)c1F.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(OC)c1F.O=C(O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(Cc2cccc(Cl)c2F)C(CO)C1
InChIInChI=1S/C25H28ClFN4O2.C25H25F5N4O2S.C25H28F2N4O3S.C25H28F2N4O2S.C24H25F3N4O2S.C23H23ClF2N4O3S/c1-16-11-22(28-14-16)30-21-8-4-6-19(29-21)13-25(24(32)33)9-10-31(17(2)12-25)15-18-5-3-7-20(26)23(18)27;1-2-16-12-24(22(35)36,13-19-18(26)6-7-20(32-19)33-23-31-9-11-37-23)8-10-34(16)14-15-4-3-5-17(21(15)27)25(28,29)30;1-3-17-13-25(23(32)33,9-11-31(17)15-16-5-4-6-20(34-2)22(16)27)14-19-18(26)7-8-21(29-19)30-24-28-10-12-35-24;1-3-18-13-25(23(32)33,9-11-31(18)15-17-6-4-5-16(2)22(17)27)14-20-19(26)7-8-21(29-20)30-24-28-10-12-34-24;1-2-16-12-24(22(32)33,8-10-31(16)14-15-4-3-5-18(26)21(15)27)13-19-17(25)6-7-20(29-19)30-23-28-9-11-34-23;24-16-3-1-2-14(20(16)26)12-30-8-6-23(21(32)33,10-15(30)13-31)11-18-17(25)4-5-19(28-18)29-22-27-7-9-34-22/h3-8,11,17H,9-10,12-15H2,1-2H3,(H,32,33)(H,28,29,30);3-7,9,11,16H,2,8,10,12-14H2,1H3,(H,35,36)(H,31,32,33);4-8,10,12,17H,3,9,11,13-15H2,1-2H3,(H,32,33)(H,28,29,30);4-8,10,12,18H,3,9,11,13-15H2,1-2H3,(H,32,33)(H,28,29,30);3-7,9,11,16H,2,8,10,12-14H2,1H3,(H,32,33)(H,28,29,30);1-5,7,9,15,31H,6,8,10-13H2,(H,32,33)(H,27,28,29)
InChIKeyIJXFITFNIUNULD-UHFFFAOYSA-N
MW3000.24 g/mol
LogP31.89
Rot. Bonds47

About 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid (PubChem CID 167590699) has the molecular formula C147H157Cl2F15N24O14S5 and a molecular weight of 3000.24 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
PubChem CID167590699
Molecular FormulaC147H157Cl2F15N24O14S5
Molecular Weight3000.24 g/mol
Exact Mass2997.01
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
SMILESCC1=CC(Nc2cccc(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)C(C)C3)n2)=NC1.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(C(F)(F)F)c1F.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(C)c1F.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(F)c1F.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(OC)c1F.O=C(O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(Cc2cccc(Cl)c2F)C(CO)C1
InChIInChI=1S/C25H28ClFN4O2.C25H25F5N4O2S.C25H28F2N4O3S.C25H28F2N4O2S.C24H25F3N4O2S.C23H23ClF2N4O3S/c1-16-11-22(28-14-16)30-21-8-4-6-19(29-21)13-25(24(32)33)9-10-31(17(2)12-25)15-18-5-3-7-20(26)23(18)27;1-2-16-12-24(22(35)36,13-19-18(26)6-7-20(32-19)33-23-31-9-11-37-23)8-10-34(16)14-15-4-3-5-17(21(15)27)25(28,29)30;1-3-17-13-25(23(32)33,9-11-31(17)15-16-5-4-6-20(34-2)22(16)27)14-19-18(26)7-8-21(29-19)30-24-28-10-12-35-24;1-3-18-13-25(23(32)33,9-11-31(18)15-17-6-4-5-16(2)22(17)27)14-20-19(26)7-8-21(29-20)30-24-28-10-12-34-24;1-2-16-12-24(22(32)33,8-10-31(16)14-15-4-3-5-18(26)21(15)27)13-19-17(25)6-7-20(29-19)30-23-28-9-11-34-23;24-16-3-1-2-14(20(16)26)12-30-8-6-23(21(32)33,10-15(30)13-31)11-18-17(25)4-5-19(28-18)29-22-27-7-9-34-22/h3-8,11,17H,9-10,12-15H2,1-2H3,(H,32,33)(H,28,29,30);3-7,9,11,16H,2,8,10,12-14H2,1H3,(H,35,36)(H,31,32,33);4-8,10,12,17H,3,9,11,13-15H2,1-2H3,(H,32,33)(H,28,29,30);4-8,10,12,18H,3,9,11,13-15H2,1-2H3,(H,32,33)(H,28,29,30);3-7,9,11,16H,2,8,10,12-14H2,1H3,(H,32,33)(H,28,29,30);1-5,7,9,15,31H,6,8,10-13H2,(H,32,33)(H,27,28,29)
InChIKeyIJXFITFNIUNULD-UHFFFAOYSA-N
XLogP31.89
TPSA499.03 Ų
H-Bond Donors13
H-Bond Acceptors37
Rotatable Bonds47
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003000.24
LogP ≤ 531.89
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1037

Analyze 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

trans-(1S,4R)-2-[(2S,5R)-2-carboxy-5-[2-fluoro-3-(trifluoromethyl)phenoxy]-2-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexyl]-4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid
CID 91112229
1-[(3-Chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(5-chlorothiophen-2-yl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-fluoro-4-pyridinyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[3-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
CID 158898978
2-(3-chloro-4-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(3-chlorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2,4-dimethoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(2-fluorophenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;2-(4-methylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide;N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 159441424
1-(1-Benzofuran-4-ylmethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[1-(3-chloro-2-fluorophenyl)cyclopropyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[1-(3-chloro-2-fluorophenyl)ethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,2-difluoro-1,3-dihydroinden-4-yl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
CID 159985191
4-[2-[5-(3-chlorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;N-cyclobutyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-1-ium-2-amine;4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;4-[2-[6-(4-fluorophenyl)pyridin-1-ium-3-yl]ethynyl]-2-methyl-1,3-thiazol-3-ium;4-[2-[6-(2-methoxy-5-methylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole;[2-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridin-1-ium-2-yl]phenyl]methanol;2,2,2-trifluoroacetate;trichloride
CID 161930190
1-(3-chloro-2-fluorobenzoyl)-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-(3-chloro-2-fluorobenzoyl)-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-(3-chloro-2-fluorobenzoyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxylic acid
CID 167590944
(2S,4S)-1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;(2R,4S)-1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;(2S,4R)-1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;(2R,4R)-1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
CID 159641971
(2S,4S)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;(2R,4S)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;(2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
CID 159641972
1-[(3-Chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)-dideuteriomethyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2,2-dimethylpiperidine-4-carboxylic acid
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(2S,4R)-1-[(2S)-2-(3-aminopropanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-1-[(2S)-2-[3-[[4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexanecarbonyl]amino]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid
CID 163971956
2-(Azetidin-1-ylmethyl)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-(ethoxymethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-(fluoromethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(isocyanomethyl)piperidine-4-carboxylic acid
CID 167573928
1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(2H-pyrrol-5-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid
CID 167623149

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid (CID 167590699) is 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid is CC1=CC(Nc2cccc(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)C(C)C3)n2)=NC1.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(C(F)(F)F)c1F.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(C)c1F.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(F)c1F.CCC1CC(Cc2nc(Nc3nccs3)ccc2F)(C(=O)O)CCN1Cc1cccc(OC)c1F.O=C(O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(Cc2cccc(Cl)c2F)C(CO)C1.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid?
The InChIKey is IJXFITFNIUNULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClFN4O2.C25H25F5N4O2S.C25H28F2N4O3S.C25H28F2N4O2S.C24H25F3N4O2S.C23H23ClF2N4O3S/c1-16-11-22(28-14-16)30-21-8-4-6-19(29-21)13-25(24(32)33)9-10-31(17(2)12-25)15-18-5-3-7-20(26)23(18)27;1-2-16-12-24(22(35)36,13-19-18(26)6-7-20(32-19)33-23-31-9-11-37-23)8-10-34(16)14-15-4-3-5-17(21(15)27)25(28,29)30;1-3-17-13-25(23(32)33,9-11-31(17)15-16-5-4-6-20(34-2)22(16)27)14-19-18(26)7-8-21(29-19)30-24-28-10-12-35-24;1-3-18-13-25(23(32)33,9-11-31(18)15-17-6-4-5-16(2)22(17)27)14-20-19(26)7-8-21(29-20)30-24-28-10-12-34-24;1-2-16-12-24(22(32)33,8-10-31(16)14-15-4-3-5-18(26)21(15)27)13-19-17(25)6-7-20(29-19)30-23-28-9-11-34-23;24-16-3-1-2-14(20(16)26)12-30-8-6-23(21(32)33,10-15(30)13-31)11-18-17(25)4-5-19(28-18)29-22-27-7-9-34-22/h3-8,11,17H,9-10,12-15H2,1-2H3,(H,32,33)(H,28,29,30);3-7,9,11,16H,2,8,10,12-14H2,1H3,(H,35,36)(H,31,32,33);4-8,10,12,17H,3,9,11,13-15H2,1-2H3,(H,32,33)(H,28,29,30);4-8,10,12,18H,3,9,11,13-15H2,1-2H3,(H,32,33)(H,28,29,30);3-7,9,11,16H,2,8,10,12-14H2,1H3,(H,32,33)(H,28,29,30);1-5,7,9,15,31H,6,8,10-13H2,(H,32,33)(H,27,28,29).
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid?
1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid has a molecular weight of 3000.24 g/mol, XLogP of 31.89, 47 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-(hydroxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-[[6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-1-[(2-fluoro-3-methylphenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;2-ethyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 167590699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).