2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid

C112H139FN14O19 — CID 157368780

IUPAC2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid
SMILESCC(=O)c1ccc(Cn2ccnc2CCCc2cc(C(=O)O)cc(C)n2)cc1.CC(C)C[C@@H](CO)CCc1cc(C(=O)O)cc(CO)n1.COc1ccc(CCn2ccnc2CCCc2cc(C(=O)O)cc(C)n2)cc1OC.Cc1cc(C(=O)O)cc(CCCc2nccn2CC(C)C)n1.Cc1cc(C(=O)O)cc(CC[C@H](CO)CC(C)C)n1.O=C(O)c1cc(CO)nc(CCCc2nccn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C23H27N3O4.C22H23N3O3.C20H20FN3O3.C17H23N3O2.C15H23NO4.C15H23NO3/c1-16-13-18(23(27)28)15-19(25-16)5-4-6-22-24-10-12-26(22)11-9-17-7-8-20(29-2)21(14-17)30-3;1-15-12-19(22(27)28)13-20(24-15)4-3-5-21-23-10-11-25(21)14-17-6-8-18(9-7-17)16(2)26;21-16-6-4-14(5-7-16)12-24-9-8-22-19(24)3-1-2-17-10-15(20(26)27)11-18(13-25)23-17;1-12(2)11-20-8-7-18-16(20)6-4-5-15-10-14(17(21)22)9-13(3)19-15;1-10(2)5-11(8-17)3-4-13-6-12(15(19)20)7-14(9-18)16-13;1-10(2)6-12(9-17)4-5-14-8-13(15(18)19)7-11(3)16-14/h7-8,10,12-15H,4-6,9,11H2,1-3H3,(H,27,28);6-13H,3-5,14H2,1-2H3,(H,27,28);4-11,25H,1-3,12-13H2,(H,26,27);7-10,12H,4-6,11H2,1-3H3,(H,21,22);6-7,10-11,17-18H,3-5,8-9H2,1-2H3,(H,19,20);7-8,10,12,17H,4-6,9H2,1-3H3,(H,18,19)/t;;;;11-;12-/m....00/s1
InChIKeyBJMSWWAEJBZXHG-NKRAQNFESA-N
MW2004.42 g/mol
LogP17.91
Rot. Bonds48

About 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid

2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid (PubChem CID 157368780) has the molecular formula C112H139FN14O19 and a molecular weight of 2004.42 g/mol. Its IUPAC name is 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid
PubChem CID157368780
Molecular FormulaC112H139FN14O19
Molecular Weight2004.42 g/mol
Exact Mass2003.03
IUPAC Name2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid
SMILESCC(=O)c1ccc(Cn2ccnc2CCCc2cc(C(=O)O)cc(C)n2)cc1.CC(C)C[C@@H](CO)CCc1cc(C(=O)O)cc(CO)n1.COc1ccc(CCn2ccnc2CCCc2cc(C(=O)O)cc(C)n2)cc1OC.Cc1cc(C(=O)O)cc(CCCc2nccn2CC(C)C)n1.Cc1cc(C(=O)O)cc(CC[C@H](CO)CC(C)C)n1.O=C(O)c1cc(CO)nc(CCCc2nccn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C23H27N3O4.C22H23N3O3.C20H20FN3O3.C17H23N3O2.C15H23NO4.C15H23NO3/c1-16-13-18(23(27)28)15-19(25-16)5-4-6-22-24-10-12-26(22)11-9-17-7-8-20(29-2)21(14-17)30-3;1-15-12-19(22(27)28)13-20(24-15)4-3-5-21-23-10-11-25(21)14-17-6-8-18(9-7-17)16(2)26;21-16-6-4-14(5-7-16)12-24-9-8-22-19(24)3-1-2-17-10-15(20(26)27)11-18(13-25)23-17;1-12(2)11-20-8-7-18-16(20)6-4-5-15-10-14(17(21)22)9-13(3)19-15;1-10(2)5-11(8-17)3-4-13-6-12(15(19)20)7-14(9-18)16-13;1-10(2)6-12(9-17)4-5-14-8-13(15(18)19)7-11(3)16-14/h7-8,10,12-15H,4-6,9,11H2,1-3H3,(H,27,28);6-13H,3-5,14H2,1-2H3,(H,27,28);4-11,25H,1-3,12-13H2,(H,26,27);7-10,12H,4-6,11H2,1-3H3,(H,21,22);6-7,10-11,17-18H,3-5,8-9H2,1-2H3,(H,19,20);7-8,10,12,17H,4-6,9H2,1-3H3,(H,18,19)/t;;;;11-;12-/m....00/s1
InChIKeyBJMSWWAEJBZXHG-NKRAQNFESA-N
XLogP17.91
TPSA488.87 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds48
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002004.42
LogP ≤ 517.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

2-[5-[[4-[[4-(1,1-Difluoroethyl)phenyl]methyl]piperazin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;methane;methyl 2-[1-methyl-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate;2-[1-methyl-5-[[4-(3-phenoxypropyl)piperazin-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid
CID 157534015
4-[4-[4-(1,1-Difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid
CID 160822473
Tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-methyl-5-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;methane;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;methyl 2,3-dimethylbutanoate;1-(5-methylhexyl)imidazole;1-(7-methyloctyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene
CID 157352297
N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]acetamide;6-(1,3-benzodioxol-5-yl)-N-cyclopropylimidazo[1,2-a]pyrazin-8-amine;6-(1,3-benzodioxol-5-yl)-N-phenylimidazo[1,2-a]pyrazin-8-amine;N-[4-[[6-(2-fluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide;6-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;4-[8-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]imidazo[1,2-a]pyrazin-6-yl]benzoic acid;8-(4-methylpiperazin-1-yl)-6-pyridin-3-ylimidazo[1,2-a]pyrazine
CID 157872042
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
2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid
CID 158706705
2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-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]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid
CID 159344296
4-[[[3-(3,4-Dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoic acid;methyl 4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzoate
CID 159410893
2-[1-[2-(4-Fluorophenyl)ethyl]-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;1-[2-[1-[2-(4-fluorophenyl)ethyl]-4-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;1-[2-[1-[2-(4-fluorophenyl)ethyl]-5-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]imidazol-2-yl]-4-pyridinyl]-2-hydroxyethanone;2-[1-[2-(4-fluorophenyl)ethyl]-5-[[4-(3-phenoxypropyl)piperazin-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid
CID 159562843
3-(1,3-benzodioxol-5-yl)-6-methyl-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-cyclohexyl-2-[methyl(propan-2-yl)amino]pyrido[2,3-b]pyrazine-7-carboxylic acid;3-(4-fluorophenyl)-2-(N-methylanilino)-7H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid;3-(4-fluorophenyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-morpholin-4-ylpyrido[2,3-b]pyrazine-7-carboxylic acid;2-[methyl(propan-2-yl)amino]-3-propan-2-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
CID 160092031
Tris(carbon dioxide);cumene;cyclohexane;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;methane;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;2-methyl-5-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene
CID 160260571
2-[3-[5-Cyclobutyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-cyclopenta-1,3-dien-1-yl-4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-cyclopropyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-ethyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-(6-methoxy-3-phenylmethoxy-2-pyridinyl)propyl]pyridine-4-carboxylic acid
CID 161006041

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid (CID 157368780) is 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid is CC(=O)c1ccc(Cn2ccnc2CCCc2cc(C(=O)O)cc(C)n2)cc1.CC(C)C[C@@H](CO)CCc1cc(C(=O)O)cc(CO)n1.COc1ccc(CCn2ccnc2CCCc2cc(C(=O)O)cc(C)n2)cc1OC.Cc1cc(C(=O)O)cc(CCCc2nccn2CC(C)C)n1.Cc1cc(C(=O)O)cc(CC[C@H](CO)CC(C)C)n1.O=C(O)c1cc(CO)nc(CCCc2nccn2Cc2ccc(F)cc2)c1.
What is the InChIKey of 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid?
The InChIKey is BJMSWWAEJBZXHG-NKRAQNFESA-N. The full InChI is InChI=1S/C23H27N3O4.C22H23N3O3.C20H20FN3O3.C17H23N3O2.C15H23NO4.C15H23NO3/c1-16-13-18(23(27)28)15-19(25-16)5-4-6-22-24-10-12-26(22)11-9-17-7-8-20(29-2)21(14-17)30-3;1-15-12-19(22(27)28)13-20(24-15)4-3-5-21-23-10-11-25(21)14-17-6-8-18(9-7-17)16(2)26;21-16-6-4-14(5-7-16)12-24-9-8-22-19(24)3-1-2-17-10-15(20(26)27)11-18(13-25)23-17;1-12(2)11-20-8-7-18-16(20)6-4-5-15-10-14(17(21)22)9-13(3)19-15;1-10(2)5-11(8-17)3-4-13-6-12(15(19)20)7-14(9-18)16-13;1-10(2)6-12(9-17)4-5-14-8-13(15(18)19)7-11(3)16-14/h7-8,10,12-15H,4-6,9,11H2,1-3H3,(H,27,28);6-13H,3-5,14H2,1-2H3,(H,27,28);4-11,25H,1-3,12-13H2,(H,26,27);7-10,12H,4-6,11H2,1-3H3,(H,21,22);6-7,10-11,17-18H,3-5,8-9H2,1-2H3,(H,19,20);7-8,10,12,17H,4-6,9H2,1-3H3,(H,18,19)/t;;;;11-;12-/m....00/s1.
What are the key properties of 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid?
2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid has a molecular weight of 2004.42 g/mol, XLogP of 17.91, 48 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 157368780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).