2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid

C175H160Cl2F3N13O25S11 — CID 161355377

IUPAC2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid
SMILESCC(C)(Sc1ccncc1-c1ccc(Cl)c(Cl)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc2c(c1)OCO2)C(=O)O.CC(C)(Sc1ccncc1-c1ccc2ccccc2c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccccc1)C(=O)O.CCOc1ccc2cc(-c3cnccc3SC(C)(C)C(=O)O)ccc2c1.CCc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cc1.N#Cc1ccc(-c2cnccc2SC(F)(F)C(=O)O)c2ccccc12.N#Cc1ccc(-c2cnccc2SC2(C(=O)O)CCC2)c2ccccc12
InChIInChI=1S/C21H16N2O2S.C21H21NO3S.C19H17NO2S.C18H10F2N2O2S.C18H20N2O4S2.C17H19NO2S.C16H15NO4S.C15H13Cl2NO2S.C15H14FNO2S.C15H15NO2S/c22-12-14-6-7-17(16-5-2-1-4-15(14)16)18-13-23-11-8-19(18)26-21(20(24)25)9-3-10-21;1-4-25-17-8-7-14-11-16(6-5-15(14)12-17)18-13-22-10-9-19(18)26-21(2,3)20(23)24;1-19(2,18(21)22)23-17-9-10-20-12-16(17)15-8-7-13-5-3-4-6-14(13)11-15;19-18(20,17(23)24)25-16-7-8-22-10-15(16)14-6-5-11(9-21)12-3-1-2-4-13(12)14;1-18(2,17(21)22)25-16-9-10-19-11-15(16)12-3-7-14(8-4-12)26(23,24)20-13-5-6-13;1-4-12-5-7-13(8-6-12)14-11-18-10-9-15(14)21-17(2,3)16(19)20;1-16(2,15(18)19)22-14-5-6-17-8-11(14)10-3-4-12-13(7-10)21-9-20-12;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)20-13-7-8-17-9-12(13)10-3-5-11(16)6-4-10;1-15(2,14(17)18)19-13-8-9-16-10-12(13)11-6-4-3-5-7-11/h1-2,4-8,11,13H,3,9-10H2,(H,24,25);5-13H,4H2,1-3H3,(H,23,24);3-12H,1-2H3,(H,21,22);1-8,10H,(H,23,24);3-4,7-11,13,20H,5-6H2,1-2H3,(H,21,22);5-11H,4H2,1-3H3,(H,19,20);3-8H,9H2,1-2H3,(H,18,19);3-8H,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19);3-10H,1-2H3,(H,17,18)
InChIKeyVOLWQXGBZKQPAK-UHFFFAOYSA-N
MW3325.91 g/mol
LogP42.93
Rot. Bonds46

About 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid

2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid (PubChem CID 161355377) has the molecular formula C175H160Cl2F3N13O25S11 and a molecular weight of 3325.91 g/mol. Its IUPAC name is 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid
PubChem CID161355377
Molecular FormulaC175H160Cl2F3N13O25S11
Molecular Weight3325.91 g/mol
Exact Mass3321.79
IUPAC Name2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid
SMILESCC(C)(Sc1ccncc1-c1ccc(Cl)c(Cl)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc2c(c1)OCO2)C(=O)O.CC(C)(Sc1ccncc1-c1ccc2ccccc2c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccccc1)C(=O)O.CCOc1ccc2cc(-c3cnccc3SC(C)(C)C(=O)O)ccc2c1.CCc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cc1.N#Cc1ccc(-c2cnccc2SC(F)(F)C(=O)O)c2ccccc12.N#Cc1ccc(-c2cnccc2SC2(C(=O)O)CCC2)c2ccccc12
InChIInChI=1S/C21H16N2O2S.C21H21NO3S.C19H17NO2S.C18H10F2N2O2S.C18H20N2O4S2.C17H19NO2S.C16H15NO4S.C15H13Cl2NO2S.C15H14FNO2S.C15H15NO2S/c22-12-14-6-7-17(16-5-2-1-4-15(14)16)18-13-23-11-8-19(18)26-21(20(24)25)9-3-10-21;1-4-25-17-8-7-14-11-16(6-5-15(14)12-17)18-13-22-10-9-19(18)26-21(2,3)20(23)24;1-19(2,18(21)22)23-17-9-10-20-12-16(17)15-8-7-13-5-3-4-6-14(13)11-15;19-18(20,17(23)24)25-16-7-8-22-10-15(16)14-6-5-11(9-21)12-3-1-2-4-13(12)14;1-18(2,17(21)22)25-16-9-10-19-11-15(16)12-3-7-14(8-4-12)26(23,24)20-13-5-6-13;1-4-12-5-7-13(8-6-12)14-11-18-10-9-15(14)21-17(2,3)16(19)20;1-16(2,15(18)19)22-14-5-6-17-8-11(14)10-3-4-12-13(7-10)21-9-20-12;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)20-13-7-8-17-9-12(13)10-3-5-11(16)6-4-10;1-15(2,14(17)18)19-13-8-9-16-10-12(13)11-6-4-3-5-7-11/h1-2,4-8,11,13H,3,9-10H2,(H,24,25);5-13H,4H2,1-3H3,(H,23,24);3-12H,1-2H3,(H,21,22);1-8,10H,(H,23,24);3-4,7-11,13,20H,5-6H2,1-2H3,(H,21,22);5-11H,4H2,1-3H3,(H,19,20);3-8H,9H2,1-2H3,(H,18,19);3-8H,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19);3-10H,1-2H3,(H,17,18)
InChIKeyVOLWQXGBZKQPAK-UHFFFAOYSA-N
XLogP42.93
TPSA623.34 Ų
H-Bond Donors11
H-Bond Acceptors37
Rotatable Bonds46
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003325.91
LogP ≤ 542.93
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1037

Analyze 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid?
The IUPAC name of 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid (CID 161355377) is 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid.
What is the SMILES notation for 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid?
The canonical SMILES for 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid is CC(C)(Sc1ccncc1-c1ccc(Cl)c(Cl)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc2c(c1)OCO2)C(=O)O.CC(C)(Sc1ccncc1-c1ccc2ccccc2c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccccc1)C(=O)O.CCOc1ccc2cc(-c3cnccc3SC(C)(C)C(=O)O)ccc2c1.CCc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cc1.N#Cc1ccc(-c2cnccc2SC(F)(F)C(=O)O)c2ccccc12.N#Cc1ccc(-c2cnccc2SC2(C(=O)O)CCC2)c2ccccc12.
What is the InChIKey of 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid?
The InChIKey is VOLWQXGBZKQPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S.C21H21NO3S.C19H17NO2S.C18H10F2N2O2S.C18H20N2O4S2.C17H19NO2S.C16H15NO4S.C15H13Cl2NO2S.C15H14FNO2S.C15H15NO2S/c22-12-14-6-7-17(16-5-2-1-4-15(14)16)18-13-23-11-8-19(18)26-21(20(24)25)9-3-10-21;1-4-25-17-8-7-14-11-16(6-5-15(14)12-17)18-13-22-10-9-19(18)26-21(2,3)20(23)24;1-19(2,18(21)22)23-17-9-10-20-12-16(17)15-8-7-13-5-3-4-6-14(13)11-15;19-18(20,17(23)24)25-16-7-8-22-10-15(16)14-6-5-11(9-21)12-3-1-2-4-13(12)14;1-18(2,17(21)22)25-16-9-10-19-11-15(16)12-3-7-14(8-4-12)26(23,24)20-13-5-6-13;1-4-12-5-7-13(8-6-12)14-11-18-10-9-15(14)21-17(2,3)16(19)20;1-16(2,15(18)19)22-14-5-6-17-8-11(14)10-3-4-12-13(7-10)21-9-20-12;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)20-13-7-8-17-9-12(13)10-3-5-11(16)6-4-10;1-15(2,14(17)18)19-13-8-9-16-10-12(13)11-6-4-3-5-7-11/h1-2,4-8,11,13H,3,9-10H2,(H,24,25);5-13H,4H2,1-3H3,(H,23,24);3-12H,1-2H3,(H,21,22);1-8,10H,(H,23,24);3-4,7-11,13,20H,5-6H2,1-2H3,(H,21,22);5-11H,4H2,1-3H3,(H,19,20);3-8H,9H2,1-2H3,(H,18,19);3-8H,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19);3-10H,1-2H3,(H,17,18).
What are the key properties of 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid?
2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid has a molecular weight of 3325.91 g/mol, XLogP of 42.93, 46 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2,2-difluoroacetic acid;2-[[3-[4-(cyclopropylsulfamoyl)phenyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-ethylphenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid is sourced from PubChem (CID 161355377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).