2-[3-[5-but-2-ynyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[2-(3-chloro-5-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-ethenyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-(3-hydroxy-6-methoxy-2-pyridinyl)butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-methyl-6-[3-[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid

C128H140ClF2N19O17 — CID 161008034

About 2-[3-[5-but-2-ynyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[2-(3-chloro-5-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-ethenyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-(3-hydroxy-6-methoxy-2-pyridinyl)butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-methyl-6-[3-[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid

2-[3-[5-but-2-ynyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[2-(3-chloro-5-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-ethenyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-(3-hydroxy-6-methoxy-2-pyridinyl)butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-methyl-6-[3-[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid (PubChem CID 161008034) has the molecular formula C128H140ClF2N19O17 and a molecular weight of 2290.09 g/mol. Its IUPAC name is 2-[3-[5-but-2-ynyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[2-(3-chloro-5-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-ethenyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-(3-hydroxy-6-methoxy-2-pyridinyl)butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-methyl-6-[3-[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[3-[5-but-2-ynyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[2-(3-chloro-5-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-ethenyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-(3-hydroxy-6-methoxy-2-pyridinyl)butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-methyl-6-[3-[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid
• PubChem CID: 161008034
• Molecular Formula: C128H140ClF2N19O17
• Molecular Weight: 2290.09 g/mol
• Exact Mass: 2288.03
• IUPAC Name: 2-[3-[5-but-2-ynyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[2-(3-chloro-5-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-ethenyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-(3-hydroxy-6-methoxy-2-pyridinyl)butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-methyl-6-[3-[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid
• SMILES: C=Cc1cn(Cc2ccc(F)cc2)c(CCCc2cc(C(=O)O)cc(CO)n2)n1.CC#CCc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.CCc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1CCc1ccccc1.COc1ccc(O)c(CCCCc2cc(C(=O)O)cc(CO)n2)n1.Cc1cc(Cl)cc(CCn2cnnc2CCCc2cc(C(=O)O)cc(CO)n2)c1.Cc1cccc(CCn2cnnc2CCCc2cc(C(=O)O)cc(C)n2)c1
• InChI: InChI=1S/C24H24FN3O2.C23H27N3O2.C22H22FN3O3.C21H23ClN4O3.C21H24N4O2.C17H20N2O5/c1-3-4-7-22-15-26-23(28(22)16-18-9-11-20(25)12-10-18)8-5-6-21-14-19(24(29)30)13-17(2)27-21;1-3-21-16-24-22(26(21)13-12-18-8-5-4-6-9-18)11-7-10-20-15-19(23(27)28)14-17(2)25-20;1-2-18-13-26(12-15-6-8-17(23)9-7-15)21(25-18)5-3-4-19-10-16(22(28)29)11-20(14-27)24-19;1-14-7-15(9-17(22)8-14)5-6-26-13-23-25-20(26)4-2-3-18-10-16(21(28)29)11-19(12-27)24-18;1-15-5-3-6-17(11-15)9-10-25-14-22-24-20(25)8-4-7-19-13-18(21(26)27)12-16(2)23-19;1-24-16-7-6-15(21)14(19-16)5-3-2-4-12-8-11(17(22)23)9-13(10-20)18-12/h9-15H,5-8,16H2,1-2H3,(H,29,30);4-6,8-9,14-16H,3,7,10-13H2,1-2H3,(H,27,28);2,6-11,13,27H,1,3-5,12,14H2,(H,28,29);7-11,13,27H,2-6,12H2,1H3,(H,28,29);3,5-6,11-14H,4,7-10H2,1-2H3,(H,26,27);6-9,20-21H,2-5,10H2,1H3,(H,22,23)
• InChIKey: TWTLKSZVPFBADR-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 519.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 51
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2290.09
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-but-2-ynyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[2-(3-chloro-5-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-ethenyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-(3-hydroxy-6-methoxy-2-pyridinyl)butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-methyl-6-[3-[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid?

The IUPAC name of 2-[3-[5-but-2-ynyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[2-(3-chloro-5-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-ethenyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-(3-hydroxy-6-methoxy-2-pyridinyl)butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-methyl-6-[3-[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid (CID 161008034) is 2-[3-[5-but-2-ynyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[2-(3-chloro-5-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-ethenyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-(3-hydroxy-6-methoxy-2-pyridinyl)butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-methyl-6-[3-[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[3-[5-but-2-ynyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[2-(3-chloro-5-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-ethenyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-(3-hydroxy-6-methoxy-2-pyridinyl)butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-methyl-6-[3-[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-[3-[5-but-2-ynyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[2-(3-chloro-5-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-ethenyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-(3-hydroxy-6-methoxy-2-pyridinyl)butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-methyl-6-[3-[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid is C=Cc1cn(Cc2ccc(F)cc2)c(CCCc2cc(C(=O)O)cc(CO)n2)n1.CC#CCc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.CCc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1CCc1ccccc1.COc1ccc(O)c(CCCCc2cc(C(=O)O)cc(CO)n2)n1.Cc1cc(Cl)cc(CCn2cnnc2CCCc2cc(C(=O)O)cc(CO)n2)c1.Cc1cccc(CCn2cnnc2CCCc2cc(C(=O)O)cc(C)n2)c1.

What is the InChIKey of 2-[3-[5-but-2-ynyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[2-(3-chloro-5-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-ethenyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-(3-hydroxy-6-methoxy-2-pyridinyl)butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-methyl-6-[3-[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid?

The InChIKey is TWTLKSZVPFBADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2.C23H27N3O2.C22H22FN3O3.C21H23ClN4O3.C21H24N4O2.C17H20N2O5/c1-3-4-7-22-15-26-23(28(22)16-18-9-11-20(25)12-10-18)8-5-6-21-14-19(24(29)30)13-17(2)27-21;1-3-21-16-24-22(26(21)13-12-18-8-5-4-6-9-18)11-7-10-20-15-19(23(27)28)14-17(2)25-20;1-2-18-13-26(12-15-6-8-17(23)9-7-15)21(25-18)5-3-4-19-10-16(22(28)29)11-20(14-27)24-19;1-14-7-15(9-17(22)8-14)5-6-26-13-23-25-20(26)4-2-3-18-10-16(21(28)29)11-19(12-27)24-18;1-15-5-3-6-17(11-15)9-10-25-14-22-24-20(25)8-4-7-19-13-18(21(26)27)12-16(2)23-19;1-24-16-7-6-15(21)14(19-16)5-3-2-4-12-8-11(17(22)23)9-13(10-20)18-12/h9-15H,5-8,16H2,1-2H3,(H,29,30);4-6,8-9,14-16H,3,7,10-13H2,1-2H3,(H,27,28);2,6-11,13,27H,1,3-5,12,14H2,(H,28,29);7-11,13,27H,2-6,12H2,1H3,(H,28,29);3,5-6,11-14H,4,7-10H2,1-2H3,(H,26,27);6-9,20-21H,2-5,10H2,1H3,(H,22,23).

What are the key properties of 2-[3-[5-but-2-ynyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[2-(3-chloro-5-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-ethenyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-(3-hydroxy-6-methoxy-2-pyridinyl)butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-methyl-6-[3-[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid?

2-[3-[5-but-2-ynyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[2-(3-chloro-5-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-ethenyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-(3-hydroxy-6-methoxy-2-pyridinyl)butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-methyl-6-[3-[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid has a molecular weight of 2290.09 g/mol, XLogP of 20.55, 51 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-but-2-ynyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[4-[2-(3-chloro-5-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[4-ethenyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[3-[5-ethyl-1-(2-phenylethyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[4-(3-hydroxy-6-methoxy-2-pyridinyl)butyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-methyl-6-[3-[4-[2-(3-methylphenyl)ethyl]-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 161008034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).