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

C123H134F4N20O9 — CID 159562843

About 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

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 (PubChem CID 159562843) has the molecular formula C123H134F4N20O9 and a molecular weight of 2112.55 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159562843
• Molecular Formula: C123H134F4N20O9
• Molecular Weight: 2112.55 g/mol
• Exact Mass: 2111.06
• IUPAC Name: 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
• SMILES: Cc1ccc(CN2CCN(Cc3cn(CCc4ccc(F)cc4)c(-c4cc(C(=O)CO)ccn4)n3)CC2)cc1.Cc1ccc(CN2CCN(Cc3cnc(-c4cc(C(=O)CO)ccn4)n3CCc3ccc(F)cc3)CC2)cc1.Cc1ccc(CN2CCN(Cc3cnc(-c4cc(C(=O)O)ccn4)n3CCc3ccc(F)cc3)CC2)cc1.O=C(O)c1ccnc(-c2ncc(CN3CCN(CCCOc4ccccc4)CC3)n2CCc2ccc(F)cc2)c1
• InChI: InChI=1S/C31H34FN5O3.2C31H34FN5O2.C30H32FN5O2/c32-26-9-7-24(8-10-26)12-15-37-27(22-34-30(37)29-21-25(31(38)39)11-13-33-29)23-36-18-16-35(17-19-36)14-4-20-40-28-5-2-1-3-6-28;1-23-2-4-25(5-3-23)20-35-14-16-36(17-15-35)21-28-19-34-31(29-18-26(10-12-33-29)30(39)22-38)37(28)13-11-24-6-8-27(32)9-7-24;1-23-2-4-25(5-3-23)19-35-14-16-36(17-15-35)20-28-21-37(13-11-24-6-8-27(32)9-7-24)31(34-28)29-18-26(10-12-33-29)30(39)22-38;1-22-2-4-24(5-3-22)20-34-14-16-35(17-15-34)21-27-19-33-29(28-18-25(30(37)38)10-12-32-28)36(27)13-11-23-6-8-26(31)9-7-23/h1-3,5-11,13,21-22H,4,12,14-20,23H2,(H,38,39);2-10,12,18-19,38H,11,13-17,20-22H2,1H3;2-10,12,18,21,38H,11,13-17,19-20,22H2,1H3;2-10,12,18-19H,11,13-17,20-21H2,1H3,(H,37,38)
• InChIKey: MGVJUBJNCMNCLR-UHFFFAOYSA-N
• XLogP: 17.52
• TPSA: 307.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 41
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2112.55
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1ccc(CN2CCN(Cc3cn(CCc4ccc(F)cc4)c(-c4cc(C(=O)CO)ccn4)n3)CC2)cc1.Cc1ccc(CN2CCN(Cc3cnc(-c4cc(C(=O)CO)ccn4)n3CCc3ccc(F)cc3)CC2)cc1.Cc1ccc(CN2CCN(Cc3cnc(-c4cc(C(=O)O)ccn4)n3CCc3ccc(F)cc3)CC2)cc1.O=C(O)c1ccnc(-c2ncc(CN3CCN(CCCOc4ccccc4)CC3)n2CCc2ccc(F)cc2)c1.

What is the InChIKey of 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?

The InChIKey is MGVJUBJNCMNCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN5O3.2C31H34FN5O2.C30H32FN5O2/c32-26-9-7-24(8-10-26)12-15-37-27(22-34-30(37)29-21-25(31(38)39)11-13-33-29)23-36-18-16-35(17-19-36)14-4-20-40-28-5-2-1-3-6-28;1-23-2-4-25(5-3-23)20-35-14-16-36(17-15-35)21-28-19-34-31(29-18-26(10-12-33-29)30(39)22-38)37(28)13-11-24-6-8-27(32)9-7-24;1-23-2-4-25(5-3-23)19-35-14-16-36(17-15-35)20-28-21-37(13-11-24-6-8-27(32)9-7-24)31(34-28)29-18-26(10-12-33-29)30(39)22-38;1-22-2-4-24(5-3-22)20-34-14-16-35(17-15-34)21-27-19-33-29(28-18-25(30(37)38)10-12-32-28)36(27)13-11-23-6-8-26(31)9-7-23/h1-3,5-11,13,21-22H,4,12,14-20,23H2,(H,38,39);2-10,12,18-19,38H,11,13-17,20-22H2,1H3;2-10,12,18,21,38H,11,13-17,19-20,22H2,1H3;2-10,12,18-19H,11,13-17,20-21H2,1H3,(H,37,38).

What are the key properties of 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?

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 has a molecular weight of 2112.55 g/mol, XLogP of 17.52, 41 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159562843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).