2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]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-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-[(E)-prop-1-enyl]pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-prop-1-ynylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-phenylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid

C130H135F5N18O13 — CID 159640072

About 2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]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-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-[(E)-prop-1-enyl]pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-prop-1-ynylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-phenylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid

2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]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-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-[(E)-prop-1-enyl]pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-prop-1-ynylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-phenylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid (PubChem CID 159640072) has the molecular formula C130H135F5N18O13 and a molecular weight of 2252.61 g/mol. Its IUPAC name is 2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]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-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-[(E)-prop-1-enyl]pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-prop-1-ynylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-phenylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]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-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-[(E)-prop-1-enyl]pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-prop-1-ynylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-phenylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid
• PubChem CID: 159640072
• Molecular Formula: C130H135F5N18O13
• Molecular Weight: 2252.61 g/mol
• Exact Mass: 2251.04
• IUPAC Name: 2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]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-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-[(E)-prop-1-enyl]pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-prop-1-ynylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-phenylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid
• SMILES: C/C=C/c1cc(C(=O)O)cc(CCCc2nccn2Cc2ccc(F)cc2)n1.CC#Cc1cc(C(=O)O)cc(CCCc2nccn2Cc2ccc(F)cc2)n1.CCc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.Cc1cc(C(=O)O)cc(CCCc2ncc(C(C)C)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nccn2CCc2ccccc2)n1.O=C(O)c1cc(CO)nc(CCCc2nccn2Cc2ccc(F)cc2)c1
• InChI: InChI=1S/C23H26FN3O2.C22H24FN3O2.C22H22FN3O2.C22H20FN3O2.C21H23N3O2.C20H20FN3O3/c1-15(2)21-13-25-22(27(21)14-17-7-9-19(24)10-8-17)6-4-5-20-12-18(23(28)29)11-16(3)26-20;1-3-20-13-24-21(26(20)14-16-7-9-18(23)10-8-16)6-4-5-19-12-17(22(27)28)11-15(2)25-19;2*1-2-4-19-13-17(22(27)28)14-20(25-19)5-3-6-21-24-11-12-26(21)15-16-7-9-18(23)10-8-16;1-16-14-18(21(25)26)15-19(23-16)8-5-9-20-22-11-13-24(20)12-10-17-6-3-2-4-7-17;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/h7-13,15H,4-6,14H2,1-3H3,(H,28,29);7-13H,3-6,14H2,1-2H3,(H,27,28);2,4,7-14H,3,5-6,15H2,1H3,(H,27,28);7-14H,3,5-6,15H2,1H3,(H,27,28);2-4,6-7,11,13-15H,5,8-10,12H2,1H3,(H,25,26);4-11,25H,1-3,12-13H2,(H,26,27)/b;;4-2+
• InChIKey: MQFWBEFDJMZVGI-BFJPKTOVSA-N
• XLogP: 23.60
• TPSA: 428.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 47
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2252.61
LogP ≤ 5	23.60
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]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-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-[(E)-prop-1-enyl]pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-prop-1-ynylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-phenylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid?

The IUPAC name of 2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]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-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-[(E)-prop-1-enyl]pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-prop-1-ynylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-phenylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid (CID 159640072) is 2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]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-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-[(E)-prop-1-enyl]pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-prop-1-ynylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-phenylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]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-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-[(E)-prop-1-enyl]pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-prop-1-ynylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-phenylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]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-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-[(E)-prop-1-enyl]pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-prop-1-ynylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-phenylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid is C/C=C/c1cc(C(=O)O)cc(CCCc2nccn2Cc2ccc(F)cc2)n1.CC#Cc1cc(C(=O)O)cc(CCCc2nccn2Cc2ccc(F)cc2)n1.CCc1cnc(CCCc2cc(C(=O)O)cc(C)n2)n1Cc1ccc(F)cc1.Cc1cc(C(=O)O)cc(CCCc2ncc(C(C)C)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nccn2CCc2ccccc2)n1.O=C(O)c1cc(CO)nc(CCCc2nccn2Cc2ccc(F)cc2)c1.

What is the InChIKey of 2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]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-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-[(E)-prop-1-enyl]pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-prop-1-ynylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-phenylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid?

The InChIKey is MQFWBEFDJMZVGI-BFJPKTOVSA-N. The full InChI is InChI=1S/C23H26FN3O2.C22H24FN3O2.C22H22FN3O2.C22H20FN3O2.C21H23N3O2.C20H20FN3O3/c1-15(2)21-13-25-22(27(21)14-17-7-9-19(24)10-8-17)6-4-5-20-12-18(23(28)29)11-16(3)26-20;1-3-20-13-24-21(26(20)14-16-7-9-18(23)10-8-16)6-4-5-19-12-17(22(27)28)11-15(2)25-19;2*1-2-4-19-13-17(22(27)28)14-20(25-19)5-3-6-21-24-11-12-26(21)15-16-7-9-18(23)10-8-16;1-16-14-18(21(25)26)15-19(23-16)8-5-9-20-22-11-13-24(20)12-10-17-6-3-2-4-7-17;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/h7-13,15H,4-6,14H2,1-3H3,(H,28,29);7-13H,3-6,14H2,1-2H3,(H,27,28);2,4,7-14H,3,5-6,15H2,1H3,(H,27,28);7-14H,3,5-6,15H2,1H3,(H,27,28);2-4,6-7,11,13-15H,5,8-10,12H2,1H3,(H,25,26);4-11,25H,1-3,12-13H2,(H,26,27)/b;;4-2+;;;.

What are the key properties of 2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]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-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-[(E)-prop-1-enyl]pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-prop-1-ynylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-phenylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid?

2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]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-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-[(E)-prop-1-enyl]pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-prop-1-ynylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-phenylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid has a molecular weight of 2252.61 g/mol, XLogP of 23.60, 47 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]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-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-[(E)-prop-1-enyl]pyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-prop-1-ynylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylimidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-phenylethyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 159640072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).