2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid

C183H168Cl2F8N16O25S12 — CID 162238319

IUPAC2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid
SMILESCC(C)(Sc1ccncc1-c1cc2ccccc2[nH]1)C(=O)O.CC(C)(Sc1ccncc1-c1cc2ccccc2cn1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(C(F)(F)F)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)c(F)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(N)(=O)=O)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1cccc2ccccc12)C(=O)O.CC(C)(Sc1ccncc1-c1cccnc1)C(=O)O.CC(C)(Sc1ccncc1-c1cncc2ccccc12)C(=O)O.COc1ccc2cc(-c3cnccc3SC(C)(C)C(=O)O)ccc2c1
InChIInChI=1S/C20H19NO3S.C19H17NO2S.2C18H16N2O2S.C17H16N2O2S.C16H13ClF3NO2S.C16H14F3NO2S.C15H14ClNO2S.C15H13F2NO2S.C15H16N2O4S2.C14H14N2O2S/c1-20(2,19(22)23)25-18-8-9-21-12-17(18)15-5-4-14-11-16(24-3)7-6-13(14)10-15;1-19(2,18(21)22)23-17-10-11-20-12-16(17)15-9-5-7-13-6-3-4-8-14(13)15;1-18(2,17(21)22)23-16-7-8-19-11-15(16)14-10-20-9-12-5-3-4-6-13(12)14;1-18(2,17(21)22)23-16-7-8-19-11-14(16)15-9-12-5-3-4-6-13(12)10-20-15;1-17(2,16(20)21)22-15-7-8-18-10-12(15)14-9-11-5-3-4-6-13(11)19-14;1-15(2,14(22)23)24-13-5-6-21-8-10(13)9-3-4-12(17)11(7-9)16(18,19)20;1-15(2,14(21)22)23-13-7-8-20-9-12(13)10-3-5-11(6-4-10)16(17,18)19;1-15(2,14(18)19)20-13-7-8-17-9-12(13)10-3-5-11(16)6-4-10;1-15(2,14(19)20)21-13-5-6-18-8-10(13)9-3-4-11(16)12(17)7-9;1-15(2,14(18)19)22-13-7-8-17-9-12(13)10-3-5-11(6-4-10)23(16,20)21;1-14(2,13(17)18)19-12-5-7-16-9-11(12)10-4-3-6-15-8-10/h4-12H,1-3H3,(H,22,23);3-12H,1-2H3,(H,21,22);2*3-11H,1-2H3,(H,21,22);3-10,19H,1-2H3,(H,20,21);3-8H,1-2H3,(H,22,23);3-9H,1-2H3,(H,21,22);3-9H,1-2H3,(H,18,19);3-8H,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19)(H2,16,20,21);3-9H,1-2H3,(H,17,18)
InChIKeyZWJAXLUXRKNRQH-UHFFFAOYSA-N
MW3599.14 g/mol
LogP46.30
Rot. Bonds46

About 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid

2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid (PubChem CID 162238319) has the molecular formula C183H168Cl2F8N16O25S12 and a molecular weight of 3599.14 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid
PubChem CID162238319
Molecular FormulaC183H168Cl2F8N16O25S12
Molecular Weight3599.14 g/mol
Exact Mass3594.83
IUPAC Name2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid
SMILESCC(C)(Sc1ccncc1-c1cc2ccccc2[nH]1)C(=O)O.CC(C)(Sc1ccncc1-c1cc2ccccc2cn1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(C(F)(F)F)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)c(F)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(N)(=O)=O)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1cccc2ccccc12)C(=O)O.CC(C)(Sc1ccncc1-c1cccnc1)C(=O)O.CC(C)(Sc1ccncc1-c1cncc2ccccc12)C(=O)O.COc1ccc2cc(-c3cnccc3SC(C)(C)C(=O)O)ccc2c1
InChIInChI=1S/C20H19NO3S.C19H17NO2S.2C18H16N2O2S.C17H16N2O2S.C16H13ClF3NO2S.C16H14F3NO2S.C15H14ClNO2S.C15H13F2NO2S.C15H16N2O4S2.C14H14N2O2S/c1-20(2,19(22)23)25-18-8-9-21-12-17(18)15-5-4-14-11-16(24-3)7-6-13(14)10-15;1-19(2,18(21)22)23-17-10-11-20-12-16(17)15-9-5-7-13-6-3-4-8-14(13)15;1-18(2,17(21)22)23-16-7-8-19-11-15(16)14-10-20-9-12-5-3-4-6-13(12)14;1-18(2,17(21)22)23-16-7-8-19-11-14(16)15-9-12-5-3-4-6-13(12)10-20-15;1-17(2,16(20)21)22-15-7-8-18-10-12(15)14-9-11-5-3-4-6-13(11)19-14;1-15(2,14(22)23)24-13-5-6-21-8-10(13)9-3-4-12(17)11(7-9)16(18,19)20;1-15(2,14(21)22)23-13-7-8-20-9-12(13)10-3-5-11(6-4-10)16(17,18)19;1-15(2,14(18)19)20-13-7-8-17-9-12(13)10-3-5-11(16)6-4-10;1-15(2,14(19)20)21-13-5-6-18-8-10(13)9-3-4-11(16)12(17)7-9;1-15(2,14(18)19)22-13-7-8-17-9-12(13)10-3-5-11(6-4-10)23(16,20)21;1-14(2,13(17)18)19-12-5-7-16-9-11(12)10-4-3-6-15-8-10/h4-12H,1-3H3,(H,22,23);3-12H,1-2H3,(H,21,22);2*3-11H,1-2H3,(H,21,22);3-10,19H,1-2H3,(H,20,21);3-8H,1-2H3,(H,22,23);3-9H,1-2H3,(H,21,22);3-9H,1-2H3,(H,18,19);3-8H,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19)(H2,16,20,21);3-9H,1-2H3,(H,17,18)
InChIKeyZWJAXLUXRKNRQH-UHFFFAOYSA-N
XLogP46.30
TPSA675.94 Ų
H-Bond Donors13
H-Bond Acceptors39
Rotatable Bonds46
Heavy Atoms246
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003599.14
LogP ≤ 546.30
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1039

Analyze 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid?
The IUPAC name of 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid (CID 162238319) is 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid is CC(C)(Sc1ccncc1-c1cc2ccccc2[nH]1)C(=O)O.CC(C)(Sc1ccncc1-c1cc2ccccc2cn1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(C(F)(F)F)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)c(C(F)(F)F)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)c(F)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(N)(=O)=O)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1cccc2ccccc12)C(=O)O.CC(C)(Sc1ccncc1-c1cccnc1)C(=O)O.CC(C)(Sc1ccncc1-c1cncc2ccccc12)C(=O)O.COc1ccc2cc(-c3cnccc3SC(C)(C)C(=O)O)ccc2c1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid?
The InChIKey is ZWJAXLUXRKNRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S.C19H17NO2S.2C18H16N2O2S.C17H16N2O2S.C16H13ClF3NO2S.C16H14F3NO2S.C15H14ClNO2S.C15H13F2NO2S.C15H16N2O4S2.C14H14N2O2S/c1-20(2,19(22)23)25-18-8-9-21-12-17(18)15-5-4-14-11-16(24-3)7-6-13(14)10-15;1-19(2,18(21)22)23-17-10-11-20-12-16(17)15-9-5-7-13-6-3-4-8-14(13)15;1-18(2,17(21)22)23-16-7-8-19-11-15(16)14-10-20-9-12-5-3-4-6-13(12)14;1-18(2,17(21)22)23-16-7-8-19-11-14(16)15-9-12-5-3-4-6-13(12)10-20-15;1-17(2,16(20)21)22-15-7-8-18-10-12(15)14-9-11-5-3-4-6-13(11)19-14;1-15(2,14(22)23)24-13-5-6-21-8-10(13)9-3-4-12(17)11(7-9)16(18,19)20;1-15(2,14(21)22)23-13-7-8-20-9-12(13)10-3-5-11(6-4-10)16(17,18)19;1-15(2,14(18)19)20-13-7-8-17-9-12(13)10-3-5-11(16)6-4-10;1-15(2,14(19)20)21-13-5-6-18-8-10(13)9-3-4-11(16)12(17)7-9;1-15(2,14(18)19)22-13-7-8-17-9-12(13)10-3-5-11(6-4-10)23(16,20)21;1-14(2,13(17)18)19-12-5-7-16-9-11(12)10-4-3-6-15-8-10/h4-12H,1-3H3,(H,22,23);3-12H,1-2H3,(H,21,22);2*3-11H,1-2H3,(H,21,22);3-10,19H,1-2H3,(H,20,21);3-8H,1-2H3,(H,22,23);3-9H,1-2H3,(H,21,22);3-9H,1-2H3,(H,18,19);3-8H,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19)(H2,16,20,21);3-9H,1-2H3,(H,17,18).
What are the key properties of 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid?
2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid has a molecular weight of 3599.14 g/mol, XLogP of 46.30, 46 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-3-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-pyridin-3-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-(4-sulfamoylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid is sourced from PubChem (CID 162238319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).