2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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

C171H153Cl2FN16O21S10 — CID 159528624

IUPAC2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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
SMILESCC(C)(Sc1ccncc1-c1cc2ccccc2[nH]1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(C#N)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)c(Cl)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)c2ccccc12)C(=O)O.CC(C)(Sc1ccncc1-c1cccc2cnccc12)C(=O)O.CC(C)(Sc1ccncc1-c1ccccc1)C(=O)O.CC(C)(Sc1ccncc1-c1cccnc1)C(=O)O.CC(C)(Sc1ccncc1-c1cnc2ccccc2c1)C(=O)O.CCOc1ccc2cc(-c3cnccc3SC(C)(C)C(=O)O)ccc2c1.N#Cc1ccc(-c2cnccc2SCC(=O)O)c2ccccc12
InChIInChI=1S/C21H21NO3S.C19H16FNO2S.2C18H16N2O2S.C18H12N2O2S.C17H16N2O2S.C16H14N2O2S.C15H13Cl2NO2S.C15H15NO2S.C14H14N2O2S/c1-4-25-17-8-7-14-11-16(6-5-15(14)12-17)18-13-22-10-9-19(18)26-21(2,3)20(23)24;1-19(2,18(22)23)24-17-9-10-21-11-15(17)13-7-8-16(20)14-6-4-3-5-12(13)14;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;19-9-12-5-6-15(14-4-2-1-3-13(12)14)16-10-20-8-7-17(16)23-11-18(21)22;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;1-16(2,15(19)20)21-14-7-8-18-10-13(14)12-5-3-11(9-17)4-6-12;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(17)18)19-13-8-9-16-10-12(13)11-6-4-3-5-7-11;1-14(2,13(17)18)19-12-5-7-16-9-11(12)10-4-3-6-15-8-10/h5-13H,4H2,1-3H3,(H,23,24);3-11H,1-2H3,(H,22,23);2*3-11H,1-2H3,(H,21,22);1-8,10H,11H2,(H,21,22);3-10,19H,1-2H3,(H,20,21);3-8,10H,1-2H3,(H,19,20);3-8H,1-2H3,(H,19,20);3-10H,1-2H3,(H,17,18);3-9H,1-2H3,(H,17,18)
InChIKeyMCRXVFCYLPJXEY-UHFFFAOYSA-N
MW3178.77 g/mol
LogP42.28
Rot. Bonds42

About 2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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 (PubChem CID 159528624) has the molecular formula C171H153Cl2FN16O21S10 and a molecular weight of 3178.77 g/mol. Its IUPAC name is 2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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.

Molecular Properties

Compound Name2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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
PubChem CID159528624
Molecular FormulaC171H153Cl2FN16O21S10
Molecular Weight3178.77 g/mol
Exact Mass3174.80
IUPAC Name2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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
SMILESCC(C)(Sc1ccncc1-c1cc2ccccc2[nH]1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(C#N)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)c(Cl)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)c2ccccc12)C(=O)O.CC(C)(Sc1ccncc1-c1cccc2cnccc12)C(=O)O.CC(C)(Sc1ccncc1-c1ccccc1)C(=O)O.CC(C)(Sc1ccncc1-c1cccnc1)C(=O)O.CC(C)(Sc1ccncc1-c1cnc2ccccc2c1)C(=O)O.CCOc1ccc2cc(-c3cnccc3SC(C)(C)C(=O)O)ccc2c1.N#Cc1ccc(-c2cnccc2SCC(=O)O)c2ccccc12
InChIInChI=1S/C21H21NO3S.C19H16FNO2S.2C18H16N2O2S.C18H12N2O2S.C17H16N2O2S.C16H14N2O2S.C15H13Cl2NO2S.C15H15NO2S.C14H14N2O2S/c1-4-25-17-8-7-14-11-16(6-5-15(14)12-17)18-13-22-10-9-19(18)26-21(2,3)20(23)24;1-19(2,18(22)23)24-17-9-10-21-11-15(17)13-7-8-16(20)14-6-4-3-5-12(13)14;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;19-9-12-5-6-15(14-4-2-1-3-13(12)14)16-10-20-8-7-17(16)23-11-18(21)22;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;1-16(2,15(19)20)21-14-7-8-18-10-13(14)12-5-3-11(9-17)4-6-12;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(17)18)19-13-8-9-16-10-12(13)11-6-4-3-5-7-11;1-14(2,13(17)18)19-12-5-7-16-9-11(12)10-4-3-6-15-8-10/h5-13H,4H2,1-3H3,(H,23,24);3-11H,1-2H3,(H,22,23);2*3-11H,1-2H3,(H,21,22);1-8,10H,11H2,(H,21,22);3-10,19H,1-2H3,(H,20,21);3-8,10H,1-2H3,(H,19,20);3-8H,1-2H3,(H,19,20);3-10H,1-2H3,(H,17,18);3-9H,1-2H3,(H,17,18)
InChIKeyMCRXVFCYLPJXEY-UHFFFAOYSA-N
XLogP42.28
TPSA613.17 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds42
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003178.77
LogP ≤ 542.28
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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 with MolForge

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Launch Full Analysis

Related Compounds

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-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-difluorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid
CID 157263599
2-[[3-(1,3-Benzodioxol-5-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-[4-chloro-3-(trifluoromethyl)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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[(3-naphthalen-1-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-naphthalen-2-yl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-phenyl-4-pyridinyl)sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-3-yl-4-pyridinyl)sulfanyl]propanoic acid
CID 157453571
2-[[3-(4-bromonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-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-(4-methylnaphthalen-1-yl)-4-pyridinyl]sulfanyl]propanoic 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 159006282
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
2-[[3-(4-Chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid
CID 157913822
2-[[3-(4-Chlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(6-ethoxynaphthalen-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-methyl-2-[[3-(4-methylsulfanylphenyl)-4-pyridinyl]sulfanyl]propanoic acid;2-methyl-2-[(3-quinolin-5-yl-4-pyridinyl)sulfanyl]propanoic acid
CID 158003219
2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(4-cyanophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(3,4-dichlorophenyl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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
CID 159357371

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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?
The IUPAC name of 2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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 (CID 159528624) is 2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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.
What is the SMILES notation for 2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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?
The canonical SMILES for 2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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 is CC(C)(Sc1ccncc1-c1cc2ccccc2[nH]1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(C#N)cc1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(Cl)c(Cl)c1)C(=O)O.CC(C)(Sc1ccncc1-c1ccc(F)c2ccccc12)C(=O)O.CC(C)(Sc1ccncc1-c1cccc2cnccc12)C(=O)O.CC(C)(Sc1ccncc1-c1ccccc1)C(=O)O.CC(C)(Sc1ccncc1-c1cccnc1)C(=O)O.CC(C)(Sc1ccncc1-c1cnc2ccccc2c1)C(=O)O.CCOc1ccc2cc(-c3cnccc3SC(C)(C)C(=O)O)ccc2c1.N#Cc1ccc(-c2cnccc2SCC(=O)O)c2ccccc12.
What is the InChIKey of 2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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?
The InChIKey is MCRXVFCYLPJXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S.C19H16FNO2S.2C18H16N2O2S.C18H12N2O2S.C17H16N2O2S.C16H14N2O2S.C15H13Cl2NO2S.C15H15NO2S.C14H14N2O2S/c1-4-25-17-8-7-14-11-16(6-5-15(14)12-17)18-13-22-10-9-19(18)26-21(2,3)20(23)24;1-19(2,18(22)23)24-17-9-10-21-11-15(17)13-7-8-16(20)14-6-4-3-5-12(13)14;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;19-9-12-5-6-15(14-4-2-1-3-13(12)14)16-10-20-8-7-17(16)23-11-18(21)22;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;1-16(2,15(19)20)21-14-7-8-18-10-13(14)12-5-3-11(9-17)4-6-12;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(17)18)19-13-8-9-16-10-12(13)11-6-4-3-5-7-11;1-14(2,13(17)18)19-12-5-7-16-9-11(12)10-4-3-6-15-8-10/h5-13H,4H2,1-3H3,(H,23,24);3-11H,1-2H3,(H,22,23);2*3-11H,1-2H3,(H,21,22);1-8,10H,11H2,(H,21,22);3-10,19H,1-2H3,(H,20,21);3-8,10H,1-2H3,(H,19,20);3-8H,1-2H3,(H,19,20);3-10H,1-2H3,(H,17,18);3-9H,1-2H3,(H,17,18).
What are the key properties of 2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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 has a molecular weight of 3178.77 g/mol, XLogP of 42.28, 42 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-cyanonaphthalen-1-yl)-4-pyridinyl]sulfanyl]acetic acid;2-[[3-(4-cyanophenyl)-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-fluoronaphthalen-1-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[[3-(1H-indol-2-yl)-4-pyridinyl]sulfanyl]-2-methylpropanoic acid;2-[(3-isoquinolin-5-yl-4-pyridinyl)sulfanyl]-2-methylpropanoic acid;2-methyl-2-[(3-phenyl-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 is sourced from PubChem (CID 159528624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).