2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid

C130H148F2N18O14S2 — CID 157173777

IUPAC2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid
SMILESC/C=C\c1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.CCc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1CCCC(C)C.CCc1nnc(CCCc2cc(C(=O)O)cc(C)n2)n1CCCc1ccccc1.COc1ccc(OCc2ccccc2)c(CCCc2cc(C(=O)O)cc(C)n2)n1.CSc1nnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.Cc1cc(C(=O)O)cc(CCCCc2ncccc2-c2ccsc2)n1
InChIInChI=1S/C23H24FN3O2.C23H28N4O2.C23H24N2O4.C21H31N3O2.C20H21FN4O2S.C20H20N2O2S/c1-3-5-21-14-25-22(27(21)15-17-8-10-19(24)11-9-17)7-4-6-20-13-18(23(28)29)12-16(2)26-20;1-3-21-25-26-22(27(21)14-8-11-18-9-5-4-6-10-18)13-7-12-20-16-19(23(28)29)15-17(2)24-20;1-16-13-18(23(26)27)14-19(24-16)9-6-10-20-21(11-12-22(25-20)28-2)29-15-17-7-4-3-5-8-17;1-5-19-14-22-20(24(19)11-7-8-15(2)3)10-6-9-18-13-17(21(25)26)12-16(4)23-18;1-13-10-15(19(26)27)11-17(22-13)4-3-5-18-23-24-20(28-2)25(18)12-14-6-8-16(21)9-7-14;1-14-11-16(20(23)24)12-17(22-14)5-2-3-7-19-18(6-4-9-21-19)15-8-10-25-13-15/h3,5,8-14H,4,6-7,15H2,1-2H3,(H,28,29);4-6,9-10,15-16H,3,7-8,11-14H2,1-2H3,(H,28,29);3-5,7-8,11-14H,6,9-10,15H2,1-2H3,(H,26,27);12-15H,5-11H2,1-4H3,(H,25,26);6-11H,3-5,12H2,1-2H3,(H,26,27);4,6,8-13H,2-3,5,7H2,1H3,(H,23,24)/b5-3-;;;;;
InChIKeyANTSOTDNPLYIOK-WWTNOJLKSA-N
MW2288.86 g/mol
LogP25.98
Rot. Bonds52

About 2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid

2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid (PubChem CID 157173777) has the molecular formula C130H148F2N18O14S2 and a molecular weight of 2288.86 g/mol. Its IUPAC name is 2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid
PubChem CID157173777
Molecular FormulaC130H148F2N18O14S2
Molecular Weight2288.86 g/mol
Exact Mass2287.08
IUPAC Name2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid
SMILESC/C=C\c1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.CCc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1CCCC(C)C.CCc1nnc(CCCc2cc(C(=O)O)cc(C)n2)n1CCCc1ccccc1.COc1ccc(OCc2ccccc2)c(CCCc2cc(C(=O)O)cc(C)n2)n1.CSc1nnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.Cc1cc(C(=O)O)cc(CCCCc2ncccc2-c2ccsc2)n1
InChIInChI=1S/C23H24FN3O2.C23H28N4O2.C23H24N2O4.C21H31N3O2.C20H21FN4O2S.C20H20N2O2S/c1-3-5-21-14-25-22(27(21)15-17-8-10-19(24)11-9-17)7-4-6-20-13-18(23(28)29)12-16(2)26-20;1-3-21-25-26-22(27(21)14-8-11-18-9-5-4-6-10-18)13-7-12-20-16-19(23(28)29)15-17(2)24-20;1-16-13-18(23(26)27)14-19(24-16)9-6-10-20-21(11-12-22(25-20)28-2)29-15-17-7-4-3-5-8-17;1-5-19-14-22-20(24(19)11-7-8-15(2)3)10-6-9-18-13-17(21(25)26)12-16(4)23-18;1-13-10-15(19(26)27)11-17(22-13)4-3-5-18-23-24-20(28-2)25(18)12-14-6-8-16(21)9-7-14;1-14-11-16(20(23)24)12-17(22-14)5-2-3-7-19-18(6-4-9-21-19)15-8-10-25-13-15/h3,5,8-14H,4,6-7,15H2,1-2H3,(H,28,29);4-6,9-10,15-16H,3,7-8,11-14H2,1-2H3,(H,28,29);3-5,7-8,11-14H,6,9-10,15H2,1-2H3,(H,26,27);12-15H,5-11H2,1-4H3,(H,25,26);6-11H,3-5,12H2,1-2H3,(H,26,27);4,6,8-13H,2-3,5,7H2,1H3,(H,23,24)/b5-3-;;;;;
InChIKeyANTSOTDNPLYIOK-WWTNOJLKSA-N
XLogP25.98
TPSA442.44 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds52
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002288.86
LogP ≤ 525.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

8-Benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-phenyl-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-phenyl-2-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-3-ol;2-[(4-hydroxyphenyl)methyl]-8-methyl-6-phenylimidazo[1,2-a]pyrazin-3-ol;2-[(4-hydroxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 160246161
8-Benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-phenyl-2-propylimidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-phenyl-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-phenyl-2-(3,3,3-trifluoropropyl)imidazo[1,2-a]pyrazin-3-ol;2-[(4-hydroxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 161774156
2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid
CID 162084869
8-Benzyl-2-(furan-2-ylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-[(4-hydroxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-[(4-hydroxyphenyl)methyl]-6-pyridin-2-ylimidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-phenyl-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 157192118
2-[4-(3-Butyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-hexyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid
CID 157484832
2-[3-[5-ethyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[3-[(4-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4,5-dimethylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[6-methoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-pyrimidin-5-ylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid
CID 157875016
8-Benzyl-2-(furan-2-ylmethyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-[(4-hydroxyphenyl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-[(4-hydroxyphenyl)methyl]-6-pyridin-2-ylimidazo[1,2-a]pyrazin-3-ol;8-benzyl-2-[(4-hydroxyphenyl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyrazin-3-ol;8-benzyl-6-(4-hydroxyphenyl)-2-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 157899734
2-[3-[4-[(3,4-Dichlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(thiophen-2-ylmethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-oxobutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;1-[6-[2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]ethanone;methane;2-methyl-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[3-(5-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridine-4-carboxylic acid
CID 157970629
2-tert-butyl-1,3-dimethylimidazol-1-ium;4-tert-butyl-1-ethylimidazole;4-[2-(2-tert-butylimidazol-1-yl)ethyl]morpholine;5-tert-butyl-2-methoxypyridine;2-tert-butyl-1-methylimidazole;bis(4-tert-butyl-1-methylimidazole);bis(5-tert-butyl-1-methylimidazole);(2-tert-butyl-3-methylimidazol-4-yl)methanol;2-tert-butyl-3-methyl-N-(2-morpholin-4-ylethyl)imidazole-4-carboxamide;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butyl-1-propan-2-ylimidazole;6-tert-butylpyridine-2-carbaldehyde;2-tert-butyl-3H-pyrrole;2-tert-butyl-1,3,4-thiadiazole;bis(2-tert-butylthiophene);2-fluoro-5-propan-2-ylpyridine;methyl 2-tert-butyl-3-methylimidazole-4-carboxylate
CID 158354496
2-[3-[5-Ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(thiophen-2-ylmethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid
CID 158418650
2-[3-[5-Benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-[[3-(1-hydroxyethyl)phenyl]methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-methylbutyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid
CID 158421373
2-[3-[5-Ethyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4,5-dimethylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[6-methoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-(6-methyl-4-phenylmethoxypyridazin-3-yl)butyl]pyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-pyrimidin-5-ylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid
CID 158527814

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid (CID 157173777) is 2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid is C/C=C\c1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.CCc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1CCCC(C)C.CCc1nnc(CCCc2cc(C(=O)O)cc(C)n2)n1CCCc1ccccc1.COc1ccc(OCc2ccccc2)c(CCCc2cc(C(=O)O)cc(C)n2)n1.CSc1nnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.Cc1cc(C(=O)O)cc(CCCCc2ncccc2-c2ccsc2)n1.
What is the InChIKey of 2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid?
The InChIKey is ANTSOTDNPLYIOK-WWTNOJLKSA-N. The full InChI is InChI=1S/C23H24FN3O2.C23H28N4O2.C23H24N2O4.C21H31N3O2.C20H21FN4O2S.C20H20N2O2S/c1-3-5-21-14-25-22(27(21)15-17-8-10-19(24)11-9-17)7-4-6-20-13-18(23(28)29)12-16(2)26-20;1-3-21-25-26-22(27(21)14-8-11-18-9-5-4-6-10-18)13-7-12-20-16-19(23(28)29)15-17(2)24-20;1-16-13-18(23(26)27)14-19(24-16)9-6-10-20-21(11-12-22(25-20)28-2)29-15-17-7-4-3-5-8-17;1-5-19-14-22-20(24(19)11-7-8-15(2)3)10-6-9-18-13-17(21(25)26)12-16(4)23-18;1-13-10-15(19(26)27)11-17(22-13)4-3-5-18-23-24-20(28-2)25(18)12-14-6-8-16(21)9-7-14;1-14-11-16(20(23)24)12-17(22-14)5-2-3-7-19-18(6-4-9-21-19)15-8-10-25-13-15/h3,5,8-14H,4,6-7,15H2,1-2H3,(H,28,29);4-6,9-10,15-16H,3,7-8,11-14H2,1-2H3,(H,28,29);3-5,7-8,11-14H,6,9-10,15H2,1-2H3,(H,26,27);12-15H,5-11H2,1-4H3,(H,25,26);6-11H,3-5,12H2,1-2H3,(H,26,27);4,6,8-13H,2-3,5,7H2,1H3,(H,23,24)/b5-3-;;;;;.
What are the key properties of 2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid?
2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid has a molecular weight of 2288.86 g/mol, XLogP of 25.98, 52 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-ethyl-1-(4-methylpentyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(Z)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-(3-thiophen-3-yl-2-pyridinyl)butyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 157173777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).