2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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

C173H163F3N16O24S11 — CID 159915965

IUPAC2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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-c1ccc(C(F)(F)F)cc1)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-c1cccc2cnccc12)C(=O)O.CC(C)(Sc1ccncc1-c1cccnc1)C(=O)O.CC(C)(Sc1ccncc1-c1cnc2ccccc2c1)C(=O)O.CC(C)(Sc1ccncc1-c1cncc2ccccc12)C(=O)O.COc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cn1.COc1ccc2cc(-c3cnccc3SC(C)(C)C(=O)O)ccc2c1.Cc1ccc(-c2cnccc2SC(C)(C)C(=O)O)c2ccccc12
InChIInChI=1S/C20H19NO3S.C20H19NO2S.C19H17NO2S.3C18H16N2O2S.C16H14F3NO2S.C15H16N2O4S2.C15H16N2O3S.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;1-13-8-9-16(15-7-5-4-6-14(13)15)17-12-21-11-10-18(17)24-20(2,3)19(22)23;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)23-16-7-9-20-11-15(16)14-5-3-4-12-10-19-8-6-13(12)14;1-18(2,17(21)22)23-16-7-8-19-11-14(16)13-9-12-5-3-4-6-15(12)20-10-13;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;1-15(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)22-13-7-8-17-9-12(13)10-3-5-11(6-4-10)23(16,20)21;1-15(2,14(18)19)21-12-6-7-16-9-11(12)10-4-5-13(20-3)17-8-10;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);4-12H,1-3H3,(H,22,23);3-12H,1-2H3,(H,21,22);3*3-11H,1-2H3,(H,21,22);3-9H,1-2H3,(H,21,22);3-9H,1-2H3,(H,18,19)(H2,16,20,21);4-9H,1-3H3,(H,18,19);3-9H,1-2H3,(H,17,18)
InChIKeyNXTZEZVAUBGKLZ-UHFFFAOYSA-N
MW3260.03 g/mol
LogP40.93
Rot. Bonds43

About 2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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 159915965) has the molecular formula C173H163F3N16O24S11 and a molecular weight of 3260.03 g/mol. Its IUPAC name is 2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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 CID159915965
Molecular FormulaC173H163F3N16O24S11
Molecular Weight3260.03 g/mol
Exact Mass3256.89
IUPAC Name2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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-c1ccc(C(F)(F)F)cc1)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-c1cccc2cnccc12)C(=O)O.CC(C)(Sc1ccncc1-c1cccnc1)C(=O)O.CC(C)(Sc1ccncc1-c1cnc2ccccc2c1)C(=O)O.CC(C)(Sc1ccncc1-c1cncc2ccccc12)C(=O)O.COc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cn1.COc1ccc2cc(-c3cnccc3SC(C)(C)C(=O)O)ccc2c1.Cc1ccc(-c2cnccc2SC(C)(C)C(=O)O)c2ccccc12
InChIInChI=1S/C20H19NO3S.C20H19NO2S.C19H17NO2S.3C18H16N2O2S.C16H14F3NO2S.C15H16N2O4S2.C15H16N2O3S.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;1-13-8-9-16(15-7-5-4-6-14(13)15)17-12-21-11-10-18(17)24-20(2,3)19(22)23;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)23-16-7-9-20-11-15(16)14-5-3-4-12-10-19-8-6-13(12)14;1-18(2,17(21)22)23-16-7-8-19-11-14(16)13-9-12-5-3-4-6-15(12)20-10-13;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;1-15(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)22-13-7-8-17-9-12(13)10-3-5-11(6-4-10)23(16,20)21;1-15(2,14(18)19)21-12-6-7-16-9-11(12)10-4-5-13(20-3)17-8-10;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);4-12H,1-3H3,(H,22,23);3-12H,1-2H3,(H,21,22);3*3-11H,1-2H3,(H,21,22);3-9H,1-2H3,(H,21,22);3-9H,1-2H3,(H,18,19)(H2,16,20,21);4-9H,1-3H3,(H,18,19);3-9H,1-2H3,(H,17,18)
InChIKeyNXTZEZVAUBGKLZ-UHFFFAOYSA-N
XLogP40.93
TPSA644.97 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds43
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003260.03
LogP ≤ 540.93
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Analyze 2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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 159915965) is 2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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-c1ccc(C(F)(F)F)cc1)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-c1cccc2cnccc12)C(=O)O.CC(C)(Sc1ccncc1-c1cccnc1)C(=O)O.CC(C)(Sc1ccncc1-c1cnc2ccccc2c1)C(=O)O.CC(C)(Sc1ccncc1-c1cncc2ccccc12)C(=O)O.COc1ccc(-c2cnccc2SC(C)(C)C(=O)O)cn1.COc1ccc2cc(-c3cnccc3SC(C)(C)C(=O)O)ccc2c1.Cc1ccc(-c2cnccc2SC(C)(C)C(=O)O)c2ccccc12.
What is the InChIKey of 2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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 NXTZEZVAUBGKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S.C20H19NO2S.C19H17NO2S.3C18H16N2O2S.C16H14F3NO2S.C15H16N2O4S2.C15H16N2O3S.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;1-13-8-9-16(15-7-5-4-6-14(13)15)17-12-21-11-10-18(17)24-20(2,3)19(22)23;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)23-16-7-9-20-11-15(16)14-5-3-4-12-10-19-8-6-13(12)14;1-18(2,17(21)22)23-16-7-8-19-11-14(16)13-9-12-5-3-4-6-15(12)20-10-13;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;1-15(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)22-13-7-8-17-9-12(13)10-3-5-11(6-4-10)23(16,20)21;1-15(2,14(18)19)21-12-6-7-16-9-11(12)10-4-5-13(20-3)17-8-10;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);4-12H,1-3H3,(H,22,23);3-12H,1-2H3,(H,21,22);3*3-11H,1-2H3,(H,21,22);3-9H,1-2H3,(H,21,22);3-9H,1-2H3,(H,18,19)(H2,16,20,21);4-9H,1-3H3,(H,18,19);3-9H,1-2H3,(H,17,18).
What are the key properties of 2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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 3260.03 g/mol, XLogP of 40.93, 43 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-isoquinolin-4-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-methoxy-3-pyridinyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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-quinolin-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 159915965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).