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

C108H125F2N17O12 — CID 158229469

About 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

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 (PubChem CID 158229469) has the molecular formula C108H125F2N17O12 and a molecular weight of 1891.29 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158229469
• Molecular Formula: C108H125F2N17O12
• Molecular Weight: 1891.29 g/mol
• Exact Mass: 1889.97
• IUPAC Name: 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
• SMILES: C=Cc1cc(C(=O)O)cc(CCCc2nccn2Cc2ccc(F)cc2)n1.CCc1cc(C(=O)O)cc(CCCc2nccn2Cc2ccc(F)cc2)n1.CCc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1C/C=C/c1ccccc1.CCc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1CCCc1ccccc1.Cc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1CCCC(C)C
• InChI: InChI=1S/C24H27N3O2.C23H28N4O3.C21H22FN3O2.C21H20FN3O2.C19H28N4O3/c1-3-22-17-25-23(27(22)14-8-11-19-9-5-4-6-10-19)13-7-12-21-16-20(24(28)29)15-18(2)26-21;1-2-21-25-26-22(27(21)13-7-10-17-8-4-3-5-9-17)12-6-11-19-14-18(23(29)30)15-20(16-28)24-19;2*1-2-18-12-16(21(26)27)13-19(24-18)4-3-5-20-23-10-11-25(20)14-15-6-8-17(22)9-7-15;1-13(2)6-5-9-23-14(3)21-22-18(23)8-4-7-16-10-15(19(25)26)11-17(12-24)20-16/h4-6,8-11,15-17H,3,7,12-14H2,1-2H3,(H,28,29);3-5,8-9,14-15,28H,2,6-7,10-13,16H2,1H3,(H,29,30);6-13H,2-5,14H2,1H3,(H,26,27);2,6-13H,1,3-5,14H2,(H,26,27);10-11,13,24H,4-9,12H2,1-3H3,(H,25,26)/b11-8+
• InChIKey: GEEUWIBHKDACIR-VANXHXJPSA-N
• XLogP: 18.64
• TPSA: 406.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 46
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1891.29
LogP ≤ 5	18.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=Cc1cc(C(=O)O)cc(CCCc2nccn2Cc2ccc(F)cc2)n1.CCc1cc(C(=O)O)cc(CCCc2nccn2Cc2ccc(F)cc2)n1.CCc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1C/C=C/c1ccccc1.CCc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1CCCc1ccccc1.Cc1nnc(CCCc2cc(C(=O)O)cc(CO)n2)n1CCCC(C)C.

What is the InChIKey of 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?

The InChIKey is GEEUWIBHKDACIR-VANXHXJPSA-N. The full InChI is InChI=1S/C24H27N3O2.C23H28N4O3.C21H22FN3O2.C21H20FN3O2.C19H28N4O3/c1-3-22-17-25-23(27(22)14-8-11-19-9-5-4-6-10-19)13-7-12-21-16-20(24(28)29)15-18(2)26-21;1-2-21-25-26-22(27(21)13-7-10-17-8-4-3-5-9-17)12-6-11-19-14-18(23(29)30)15-20(16-28)24-19;2*1-2-18-12-16(21(26)27)13-19(24-18)4-3-5-20-23-10-11-25(20)14-15-6-8-17(22)9-7-15;1-13(2)6-5-9-23-14(3)21-22-18(23)8-4-7-16-10-15(19(25)26)11-17(12-24)20-16/h4-6,8-11,15-17H,3,7,12-14H2,1-2H3,(H,28,29);3-5,8-9,14-15,28H,2,6-7,10-13,16H2,1H3,(H,29,30);6-13H,2-5,14H2,1H3,(H,26,27);2,6-13H,1,3-5,14H2,(H,26,27);10-11,13,24H,4-9,12H2,1-3H3,(H,25,26)/b11-8+;;;;.

What are the key properties of 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?

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 has a molecular weight of 1891.29 g/mol, XLogP of 18.64, 46 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158229469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).