2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid

C136H152F4N20O16S — CID 159090888

IUPAC2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid
SMILESC/C=C/c1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.CCOc1ccc(CC(C)C)c(CCCc2cc(C(=O)O)cc(CO)n2)n1.CCc1cnc(CCCc2cc(C(=O)O)cc(CO)n2)n1Cc1ccc(F)cc1.CSc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.Cc1cc(C(=O)O)cc(CCCc2nnc(CN(C)C)n2Cc2ccc(F)cc2)n1.O=C(O)c1cc(CO)nc(CCCc2nnc(-c3ccccc3)n2CCCc2ccccc2)c1
InChIInChI=1S/C27H28N4O3.C23H24FN3O2.C22H26FN5O2.C22H24FN3O3.C21H22FN3O2S.C21H28N2O4/c32-19-24-18-22(27(33)34)17-23(28-24)14-7-15-25-29-30-26(21-12-5-2-6-13-21)31(25)16-8-11-20-9-3-1-4-10-20;1-3-5-21-14-25-22(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;1-15-11-17(22(29)30)12-19(24-15)5-4-6-20-25-26-21(14-27(2)3)28(20)13-16-7-9-18(23)10-8-16;1-2-20-12-24-21(26(20)13-15-6-8-17(23)9-7-15)5-3-4-18-10-16(22(28)29)11-19(14-27)25-18;1-14-10-16(21(26)27)11-18(24-14)4-3-5-19-23-12-20(28-2)25(19)13-15-6-8-17(22)9-7-15;1-4-27-20-9-8-15(10-14(2)3)19(23-20)7-5-6-17-11-16(21(25)26)12-18(13-24)22-17/h1-6,9-10,12-13,17-18,32H,7-8,11,14-16,19H2,(H,33,34);3,5,8-14H,4,6-7,15H2,1-2H3,(H,28,29);7-12H,4-6,13-14H2,1-3H3,(H,29,30);6-12,27H,2-5,13-14H2,1H3,(H,28,29);6-12H,3-5,13H2,1-2H3,(H,26,27);8-9,11-12,14,24H,4-7,10,13H2,1-3H3,(H,25,26)/b;5-3+;;;;
InChIKeyKCAUWYZJVNLLMY-FRUFGPSVSA-N
MW2430.89 g/mol
LogP23.33
Rot. Bonds55

About 2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid

2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid (PubChem CID 159090888) has the molecular formula C136H152F4N20O16S and a molecular weight of 2430.89 g/mol. Its IUPAC name is 2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid
PubChem CID159090888
Molecular FormulaC136H152F4N20O16S
Molecular Weight2430.89 g/mol
Exact Mass2429.14
IUPAC Name2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid
SMILESC/C=C/c1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.CCOc1ccc(CC(C)C)c(CCCc2cc(C(=O)O)cc(CO)n2)n1.CCc1cnc(CCCc2cc(C(=O)O)cc(CO)n2)n1Cc1ccc(F)cc1.CSc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.Cc1cc(C(=O)O)cc(CCCc2nnc(CN(C)C)n2Cc2ccc(F)cc2)n1.O=C(O)c1cc(CO)nc(CCCc2nnc(-c3ccccc3)n2CCCc2ccccc2)c1
InChIInChI=1S/C27H28N4O3.C23H24FN3O2.C22H26FN5O2.C22H24FN3O3.C21H22FN3O2S.C21H28N2O4/c32-19-24-18-22(27(33)34)17-23(28-24)14-7-15-25-29-30-26(21-12-5-2-6-13-21)31(25)16-8-11-20-9-3-1-4-10-20;1-3-5-21-14-25-22(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;1-15-11-17(22(29)30)12-19(24-15)5-4-6-20-25-26-21(14-27(2)3)28(20)13-16-7-9-18(23)10-8-16;1-2-20-12-24-21(26(20)13-15-6-8-17(23)9-7-15)5-3-4-18-10-16(22(28)29)11-19(14-27)25-18;1-14-10-16(21(26)27)11-18(24-14)4-3-5-19-23-12-20(28-2)25(19)13-15-6-8-17(22)9-7-15;1-4-27-20-9-8-15(10-14(2)3)19(23-20)7-5-6-17-11-16(21(25)26)12-18(13-24)22-17/h1-6,9-10,12-13,17-18,32H,7-8,11,14-16,19H2,(H,33,34);3,5,8-14H,4,6-7,15H2,1-2H3,(H,28,29);7-12H,4-6,13-14H2,1-3H3,(H,29,30);6-12,27H,2-5,13-14H2,1H3,(H,28,29);6-12H,3-5,13H2,1-2H3,(H,26,27);8-9,11-12,14,24H,4-7,10,13H2,1-3H3,(H,25,26)/b;5-3+;;;;
InChIKeyKCAUWYZJVNLLMY-FRUFGPSVSA-N
XLogP23.33
TPSA502.07 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds55
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002430.89
LogP ≤ 523.33
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Analyze 2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[4-Ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid
CID 158987792
1-[3,5-Difluoro-4-[[5-(4-fluorophenyl)-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(pyridin-2-ylmethyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-[5-(trifluoromethyl)-2-pyridinyl]tetrazol-1-yl]methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]phenyl]ethanone
CID 159516662
2-[[4-[6-[(4-Cyano-2,3-difluorophenyl)methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 159726604
Methyl 2-[[4-[6-[(5-chloro-1,3,4-thiadiazol-2-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(2-chloro-1,3-thiazol-5-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-fluoro-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[2-fluoro-4-[6-[(1-methyl-6-oxo-2-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 160353398
2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid
CID 157139126
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
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
2-[3-[1-[[3-(Aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid;2-[3-[6-methoxy-3-(2-phenylethoxy)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxylic acid
CID 157991326
2-[3-[1-[[3-(Aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid
CID 158154177
2-[3-[1-[(3-Cyanophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclobutyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-[2-(dimethylamino)ethyl-ethylamino]-4-oxobutyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-[2-(dimethylamino)ethyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-prop-1-en-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid
CID 158193732
2-ethenyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-ethyl-6-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(E)-3-phenylprop-2-enyl]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-(hydroxymethyl)-6-[3-[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid
CID 158229469

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid (CID 159090888) is 2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid is C/C=C/c1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.CCOc1ccc(CC(C)C)c(CCCc2cc(C(=O)O)cc(CO)n2)n1.CCc1cnc(CCCc2cc(C(=O)O)cc(CO)n2)n1Cc1ccc(F)cc1.CSc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.Cc1cc(C(=O)O)cc(CCCc2nnc(CN(C)C)n2Cc2ccc(F)cc2)n1.O=C(O)c1cc(CO)nc(CCCc2nnc(-c3ccccc3)n2CCCc2ccccc2)c1.
What is the InChIKey of 2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid?
The InChIKey is KCAUWYZJVNLLMY-FRUFGPSVSA-N. The full InChI is InChI=1S/C27H28N4O3.C23H24FN3O2.C22H26FN5O2.C22H24FN3O3.C21H22FN3O2S.C21H28N2O4/c32-19-24-18-22(27(33)34)17-23(28-24)14-7-15-25-29-30-26(21-12-5-2-6-13-21)31(25)16-8-11-20-9-3-1-4-10-20;1-3-5-21-14-25-22(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;1-15-11-17(22(29)30)12-19(24-15)5-4-6-20-25-26-21(14-27(2)3)28(20)13-16-7-9-18(23)10-8-16;1-2-20-12-24-21(26(20)13-15-6-8-17(23)9-7-15)5-3-4-18-10-16(22(28)29)11-19(14-27)25-18;1-14-10-16(21(26)27)11-18(24-14)4-3-5-19-23-12-20(28-2)25(19)13-15-6-8-17(22)9-7-15;1-4-27-20-9-8-15(10-14(2)3)19(23-20)7-5-6-17-11-16(21(25)26)12-18(13-24)22-17/h1-6,9-10,12-13,17-18,32H,7-8,11,14-16,19H2,(H,33,34);3,5,8-14H,4,6-7,15H2,1-2H3,(H,28,29);7-12H,4-6,13-14H2,1-3H3,(H,29,30);6-12,27H,2-5,13-14H2,1H3,(H,28,29);6-12H,3-5,13H2,1-2H3,(H,26,27);8-9,11-12,14,24H,4-7,10,13H2,1-3H3,(H,25,26)/b;5-3+;;;;.
What are the key properties of 2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid?
2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid has a molecular weight of 2430.89 g/mol, XLogP of 23.33, 55 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[6-ethoxy-3-(2-methylpropyl)-2-pyridinyl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-methylsulfanylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-[(E)-prop-1-enyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[5-phenyl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 159090888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).