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

C146H151Cl4F18N25O12S4 — CID 167625564

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-2-(difluoromethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(4-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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;4-[[3-fluoro-6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1=CC(Nc2ccc(F)c(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)C(C)C3)n2)=NC1.CC1CC(Cc2nc(Nc3ccn[nH]3)ccc2F)(C(=O)O)CCN1Cc1cccc(C(F)(F)F)c1F.CCC1CC(Cc2nc(Nc3nc(C)cs3)ccc2F)(C(=O)O)CCN1Cc1cccc(Cl)c1F.CCC1CC(Cc2nc(Nc3ncc(C)s3)ccc2F)(C(=O)O)CCN1Cc1cccc(Cl)c1F.Cc1cnc(Nc2ccc(F)c(CC3(C(=O)O)CCN(Cc4cccc(F)c4F)C(C)C3)n2)s1.O=C(O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(Cc2cccc(Cl)c2F)C(C(F)F)C1
InChIInChI=1S/2C25H27ClF2N4O2S.C25H27ClF2N4O2.C24H24F5N5O2.C24H25F3N4O2S.C23H21ClF4N4O2S/c1-3-17-11-25(23(33)34,9-10-32(17)13-16-5-4-6-18(26)22(16)28)12-20-19(27)7-8-21(30-20)31-24-29-15(2)14-35-24;1-3-17-11-25(23(33)34,9-10-32(17)14-16-5-4-6-18(26)22(16)28)12-20-19(27)7-8-21(30-20)31-24-29-13-15(2)35-24;1-15-10-22(29-13-15)31-21-7-6-19(27)20(30-21)12-25(24(33)34)8-9-32(16(2)11-25)14-17-4-3-5-18(26)23(17)28;1-14-11-23(22(35)36,12-18-17(25)5-6-19(31-18)32-20-7-9-30-33-20)8-10-34(14)13-15-3-2-4-16(21(15)26)24(27,28)29;1-14-10-24(22(32)33,8-9-31(14)13-16-4-3-5-18(26)21(16)27)11-19-17(25)6-7-20(29-19)30-23-28-12-15(2)34-23;24-14-3-1-2-13(19(14)26)12-32-8-6-23(21(33)34,11-17(32)20(27)28)10-16-15(25)4-5-18(30-16)31-22-29-7-9-35-22/h4-8,14,17H,3,9-13H2,1-2H3,(H,33,34)(H,29,30,31);4-8,13,17H,3,9-12,14H2,1-2H3,(H,33,34)(H,29,30,31);3-7,10,16H,8-9,11-14H2,1-2H3,(H,33,34)(H,29,30,31);2-7,9,14H,8,10-13H2,1H3,(H,35,36)(H2,30,31,32,33);3-7,12,14H,8-11,13H2,1-2H3,(H,32,33)(H,28,29,30);1-5,7,9,17,20H,6,8,10-12H2,(H,33,34)(H,29,30,31)
InChIKeyNAZBJCUILAUVHX-UHFFFAOYSA-N
MW3060.02 g/mol
LogP33.71
Rot. Bonds44

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

1-[(3-chloro-2-fluorophenyl)methyl]-2-(difluoromethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(4-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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;4-[[3-fluoro-6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 167625564) has the molecular formula C146H151Cl4F18N25O12S4 and a molecular weight of 3060.02 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-2-(difluoromethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(4-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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;4-[[3-fluoro-6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-2-(difluoromethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(4-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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;4-[[3-fluoro-6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID167625564
Molecular FormulaC146H151Cl4F18N25O12S4
Molecular Weight3060.02 g/mol
Exact Mass3055.93
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-2-(difluoromethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(4-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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;4-[[3-fluoro-6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1=CC(Nc2ccc(F)c(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)C(C)C3)n2)=NC1.CC1CC(Cc2nc(Nc3ccn[nH]3)ccc2F)(C(=O)O)CCN1Cc1cccc(C(F)(F)F)c1F.CCC1CC(Cc2nc(Nc3nc(C)cs3)ccc2F)(C(=O)O)CCN1Cc1cccc(Cl)c1F.CCC1CC(Cc2nc(Nc3ncc(C)s3)ccc2F)(C(=O)O)CCN1Cc1cccc(Cl)c1F.Cc1cnc(Nc2ccc(F)c(CC3(C(=O)O)CCN(Cc4cccc(F)c4F)C(C)C3)n2)s1.O=C(O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(Cc2cccc(Cl)c2F)C(C(F)F)C1
InChIInChI=1S/2C25H27ClF2N4O2S.C25H27ClF2N4O2.C24H24F5N5O2.C24H25F3N4O2S.C23H21ClF4N4O2S/c1-3-17-11-25(23(33)34,9-10-32(17)13-16-5-4-6-18(26)22(16)28)12-20-19(27)7-8-21(30-20)31-24-29-15(2)14-35-24;1-3-17-11-25(23(33)34,9-10-32(17)14-16-5-4-6-18(26)22(16)28)12-20-19(27)7-8-21(30-20)31-24-29-13-15(2)35-24;1-15-10-22(29-13-15)31-21-7-6-19(27)20(30-21)12-25(24(33)34)8-9-32(16(2)11-25)14-17-4-3-5-18(26)23(17)28;1-14-11-23(22(35)36,12-18-17(25)5-6-19(31-18)32-20-7-9-30-33-20)8-10-34(14)13-15-3-2-4-16(21(15)26)24(27,28)29;1-14-10-24(22(32)33,8-9-31(14)13-16-4-3-5-18(26)21(16)27)11-19-17(25)6-7-20(29-19)30-23-28-12-15(2)34-23;24-14-3-1-2-13(19(14)26)12-32-8-6-23(21(33)34,11-17(32)20(27)28)10-16-15(25)4-5-18(30-16)31-22-29-7-9-35-22/h4-8,14,17H,3,9-13H2,1-2H3,(H,33,34)(H,29,30,31);4-8,13,17H,3,9-12,14H2,1-2H3,(H,33,34)(H,29,30,31);3-7,10,16H,8-9,11-14H2,1-2H3,(H,33,34)(H,29,30,31);2-7,9,14H,8,10-13H2,1H3,(H,35,36)(H2,30,31,32,33);3-7,12,14H,8-11,13H2,1-2H3,(H,32,33)(H,28,29,30);1-5,7,9,17,20H,6,8,10-12H2,(H,33,34)(H,29,30,31)
InChIKeyNAZBJCUILAUVHX-UHFFFAOYSA-N
XLogP33.71
TPSA485.36 Ų
H-Bond Donors13
H-Bond Acceptors34
Rotatable Bonds44
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003060.02
LogP ≤ 533.71
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1034

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

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Launch Full Analysis

Related Compounds

(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
CID 164812401
(2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-(1,3-thiazol-2-yl)-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
CID 164812620
3-[[6-(5-chlorothiophen-2-yl)-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[6-[1-(difluoromethyl)pyrazol-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-propan-2-ylsulfanylpyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 158285946
(2S,3S)-3-[[6-(5-chlorothiophen-2-yl)-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[6-[1-(difluoromethyl)pyrazol-3-yl]-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-propan-2-ylsulfanylpyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 158285948
(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
(2S,3S)-3-[[6-(5-chlorothiophen-2-yl)-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[6-[1-(difluoromethyl)pyrazol-3-yl]-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-propan-2-ylsulfanylpyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 160097359
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
CID 160725869
(2R)-2-[(3S,4S)-3-[[4-(2-benzyl-4-chloro-1H-imidazol-5-yl)piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]-3-cyclobutylpropanoic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[3-[(2,4-difluorophenyl)methyl]-1-ethylpyrazol-5-yl]piperidin-1-yl]methyl]-4-(3-methylphenyl)pyrrolidin-1-yl]acetic acid;(2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[4-ethyl-2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]acetic acid;(2R)-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-3,3-dimethylbutanoic acid;methane;(2R)-3-methyl-2-[(3S,4S)-3-(3-methylphenyl)-4-[[4-[2-(thiophen-3-ylmethyl)-1,3-thiazol-5-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]butanoic acid
CID 161732191
5-chloro-3-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-(1-methylpyrrol-3-yl)pyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-phenylpyrimidin-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[[2-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-pyridin-2-ylpentanoic acid;3-[[2-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]-4-methyl-4-(1,3-thiazol-2-yl)pentanoic acid
CID 161843826
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
1-[(3-Chloro-2-fluorophenyl)methyl]-2-cyclopropyl-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-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-(methoxymethyl)piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-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-propan-2-ylpiperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]-2-propylpiperidine-4-carboxylic acid
CID 167637018

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-2-(difluoromethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(4-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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;4-[[3-fluoro-6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-2-(difluoromethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(4-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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;4-[[3-fluoro-6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpiperidine-4-carboxylic acid (CID 167625564) is 1-[(3-chloro-2-fluorophenyl)methyl]-2-(difluoromethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(4-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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;4-[[3-fluoro-6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-2-(difluoromethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(4-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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;4-[[3-fluoro-6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-2-(difluoromethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(4-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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;4-[[3-fluoro-6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpiperidine-4-carboxylic acid is CC1=CC(Nc2ccc(F)c(CC3(C(=O)O)CCN(Cc4cccc(Cl)c4F)C(C)C3)n2)=NC1.CC1CC(Cc2nc(Nc3ccn[nH]3)ccc2F)(C(=O)O)CCN1Cc1cccc(C(F)(F)F)c1F.CCC1CC(Cc2nc(Nc3nc(C)cs3)ccc2F)(C(=O)O)CCN1Cc1cccc(Cl)c1F.CCC1CC(Cc2nc(Nc3ncc(C)s3)ccc2F)(C(=O)O)CCN1Cc1cccc(Cl)c1F.Cc1cnc(Nc2ccc(F)c(CC3(C(=O)O)CCN(Cc4cccc(F)c4F)C(C)C3)n2)s1.O=C(O)C1(Cc2nc(Nc3nccs3)ccc2F)CCN(Cc2cccc(Cl)c2F)C(C(F)F)C1.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-2-(difluoromethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(4-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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;4-[[3-fluoro-6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is NAZBJCUILAUVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H27ClF2N4O2S.C25H27ClF2N4O2.C24H24F5N5O2.C24H25F3N4O2S.C23H21ClF4N4O2S/c1-3-17-11-25(23(33)34,9-10-32(17)13-16-5-4-6-18(26)22(16)28)12-20-19(27)7-8-21(30-20)31-24-29-15(2)14-35-24;1-3-17-11-25(23(33)34,9-10-32(17)14-16-5-4-6-18(26)22(16)28)12-20-19(27)7-8-21(30-20)31-24-29-13-15(2)35-24;1-15-10-22(29-13-15)31-21-7-6-19(27)20(30-21)12-25(24(33)34)8-9-32(16(2)11-25)14-17-4-3-5-18(26)23(17)28;1-14-11-23(22(35)36,12-18-17(25)5-6-19(31-18)32-20-7-9-30-33-20)8-10-34(14)13-15-3-2-4-16(21(15)26)24(27,28)29;1-14-10-24(22(32)33,8-9-31(14)13-16-4-3-5-18(26)21(16)27)11-19-17(25)6-7-20(29-19)30-23-28-12-15(2)34-23;24-14-3-1-2-13(19(14)26)12-32-8-6-23(21(33)34,11-17(32)20(27)28)10-16-15(25)4-5-18(30-16)31-22-29-7-9-35-22/h4-8,14,17H,3,9-13H2,1-2H3,(H,33,34)(H,29,30,31);4-8,13,17H,3,9-12,14H2,1-2H3,(H,33,34)(H,29,30,31);3-7,10,16H,8-9,11-14H2,1-2H3,(H,33,34)(H,29,30,31);2-7,9,14H,8,10-13H2,1H3,(H,35,36)(H2,30,31,32,33);3-7,12,14H,8-11,13H2,1-2H3,(H,32,33)(H,28,29,30);1-5,7,9,17,20H,6,8,10-12H2,(H,33,34)(H,29,30,31).
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-2-(difluoromethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(4-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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;4-[[3-fluoro-6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpiperidine-4-carboxylic acid?
1-[(3-chloro-2-fluorophenyl)methyl]-2-(difluoromethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(4-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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;4-[[3-fluoro-6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 3060.02 g/mol, XLogP of 33.71, 44 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorophenyl)methyl]-2-(difluoromethyl)-4-[[3-fluoro-6-(1,3-thiazol-2-ylamino)-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-2-ethyl-4-[[3-fluoro-6-[(4-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-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]piperidine-4-carboxylic acid;1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(3-methyl-2H-pyrrol-5-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;1-[(2,3-difluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid;4-[[3-fluoro-6-(1H-pyrazol-5-ylamino)-2-pyridinyl]methyl]-1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 167625564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).