2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid

C168H157Cl2F3N16O27S11 — CID 159774954

IUPAC2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid
SMILESCC(C)(Sc1ccncc1-c1ccc(C(F)(F)F)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(=O)(=O)NC2CC2)nc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc2c(c1)OCCO2)C(=O)O.CC(C)(Sc1ccncc1-c1ccc2c(c1)OCO2)C(=O)O.CC(C)(Sc1ccncc1-c1cccc2ncccc12)C(=O)O.CC(C)(Sc1ccncc1-c1cncc2ccccc12)C(=O)O.COc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cn1.N#Cc1ccc(-c2cnccc2SC2(C(=O)O)CCC2)c2ccccc12
InChIInChI=1S/C21H16N2O2S.2C18H16N2O2S.C17H19N3O4S2.C17H17NO4S.C16H14F3NO2S.C16H15NO4S.2C15H14ClNO2S.C15H16N2O3S/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;1-18(2,17(21)22)23-16-8-10-19-11-14(16)12-5-3-7-15-13(12)6-4-9-20-15;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;1-17(2,16(21)22)25-14-7-8-18-10-13(14)11-3-6-15(19-9-11)26(23,24)20-12-4-5-12;1-17(2,16(19)20)23-15-5-6-18-10-12(15)11-3-4-13-14(9-11)22-8-7-21-13;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;1-16(2,15(18)19)22-14-5-6-17-8-11(14)10-3-4-12-13(7-10)21-9-20-12;2*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(18)19)21-12-6-7-16-9-11(12)10-4-5-13(20-3)17-8-10/h1-2,4-8,11,13H,3,9-10H2,(H,24,25);2*3-11H,1-2H3,(H,21,22);3,6-10,12,20H,4-5H2,1-2H3,(H,21,22);3-6,9-10H,7-8H2,1-2H3,(H,19,20);3-9H,1-2H3,(H,21,22);3-8H,9H2,1-2H3,(H,18,19);2*3-9H,1-2H3,(H,18,19);4-9H,1-3H3,(H,18,19)
InChIKeyNGPQFZYSZNDAFQ-UHFFFAOYSA-N
MW3312.83 g/mol
LogP39.37
Rot. Bonds44

About 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid

2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid (PubChem CID 159774954) has the molecular formula C168H157Cl2F3N16O27S11 and a molecular weight of 3312.83 g/mol. Its IUPAC name is 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid
PubChem CID159774954
Molecular FormulaC168H157Cl2F3N16O27S11
Molecular Weight3312.83 g/mol
Exact Mass3308.77
IUPAC Name2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid
SMILESCC(C)(Sc1ccncc1-c1ccc(C(F)(F)F)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(=O)(=O)NC2CC2)nc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc2c(c1)OCCO2)C(=O)O.CC(C)(Sc1ccncc1-c1ccc2c(c1)OCO2)C(=O)O.CC(C)(Sc1ccncc1-c1cccc2ncccc12)C(=O)O.CC(C)(Sc1ccncc1-c1cncc2ccccc12)C(=O)O.COc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cn1.N#Cc1ccc(-c2cnccc2SC2(C(=O)O)CCC2)c2ccccc12
InChIInChI=1S/C21H16N2O2S.2C18H16N2O2S.C17H19N3O4S2.C17H17NO4S.C16H14F3NO2S.C16H15NO4S.2C15H14ClNO2S.C15H16N2O3S/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;1-18(2,17(21)22)23-16-8-10-19-11-14(16)12-5-3-7-15-13(12)6-4-9-20-15;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;1-17(2,16(21)22)25-14-7-8-18-10-13(14)11-3-6-15(19-9-11)26(23,24)20-12-4-5-12;1-17(2,16(19)20)23-15-5-6-18-10-12(15)11-3-4-13-14(9-11)22-8-7-21-13;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;1-16(2,15(18)19)22-14-5-6-17-8-11(14)10-3-4-12-13(7-10)21-9-20-12;2*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(18)19)21-12-6-7-16-9-11(12)10-4-5-13(20-3)17-8-10/h1-2,4-8,11,13H,3,9-10H2,(H,24,25);2*3-11H,1-2H3,(H,21,22);3,6-10,12,20H,4-5H2,1-2H3,(H,21,22);3-6,9-10H,7-8H2,1-2H3,(H,19,20);3-9H,1-2H3,(H,21,22);3-8H,9H2,1-2H3,(H,18,19);2*3-9H,1-2H3,(H,18,19);4-9H,1-3H3,(H,18,19)
InChIKeyNGPQFZYSZNDAFQ-UHFFFAOYSA-N
XLogP39.37
TPSA669.57 Ų
H-Bond Donors11
H-Bond Acceptors42
Rotatable Bonds44
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003312.83
LogP ≤ 539.37
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1042

Analyze 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-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-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid?
The IUPAC name of 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid (CID 159774954) is 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-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-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid?
The canonical SMILES for 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid is CC(C)(Sc1ccncc1-c1ccc(C(F)(F)F)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(S(=O)(=O)NC2CC2)nc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc2c(c1)OCCO2)C(=O)O.CC(C)(Sc1ccncc1-c1ccc2c(c1)OCO2)C(=O)O.CC(C)(Sc1ccncc1-c1cccc2ncccc12)C(=O)O.CC(C)(Sc1ccncc1-c1cncc2ccccc12)C(=O)O.COc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cn1.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;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid?
The InChIKey is NGPQFZYSZNDAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S.2C18H16N2O2S.C17H19N3O4S2.C17H17NO4S.C16H14F3NO2S.C16H15NO4S.2C15H14ClNO2S.C15H16N2O3S/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;1-18(2,17(21)22)23-16-8-10-19-11-14(16)12-5-3-7-15-13(12)6-4-9-20-15;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;1-17(2,16(21)22)25-14-7-8-18-10-13(14)11-3-6-15(19-9-11)26(23,24)20-12-4-5-12;1-17(2,16(19)20)23-15-5-6-18-10-12(15)11-3-4-13-14(9-11)22-8-7-21-13;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;1-16(2,15(18)19)22-14-5-6-17-8-11(14)10-3-4-12-13(7-10)21-9-20-12;2*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(18)19)21-12-6-7-16-9-11(12)10-4-5-13(20-3)17-8-10/h1-2,4-8,11,13H,3,9-10H2,(H,24,25);2*3-11H,1-2H3,(H,21,22);3,6-10,12,20H,4-5H2,1-2H3,(H,21,22);3-6,9-10H,7-8H2,1-2H3,(H,19,20);3-9H,1-2H3,(H,21,22);3-8H,9H2,1-2H3,(H,18,19);2*3-9H,1-2H3,(H,18,19);4-9H,1-3H3,(H,18,19).
What are the key properties of 2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid?
2-[[3-(1,3-benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid has a molecular weight of 3312.83 g/mol, XLogP of 39.37, 44 rotatable bonds, 11 hydrogen bond donors, and 42 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;bis(2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid);1-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]cyclobutane-1-carboxylic acid;2-[[3-[6-(cyclopropylsulfamoyl)-3-pyridinyl]-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]sulfanyl]propanoic acid is sourced from PubChem (CID 159774954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).