2-[3-[4-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid

C130H144F7N15O12 — CID 158987792

About 2-[3-[4-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid

2-[3-[4-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid (PubChem CID 158987792) has the molecular formula C130H144F7N15O12 and a molecular weight of 2241.66 g/mol. Its IUPAC name is 2-[3-[4-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[3-[4-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid
• PubChem CID: 158987792
• Molecular Formula: C130H144F7N15O12
• Molecular Weight: 2241.66 g/mol
• Exact Mass: 2240.10
• IUPAC Name: 2-[3-[4-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid
• SMILES: CCc1cn(Cc2ccc(F)cc2)c(CCCc2cc(C(=O)O)cc(CO)n2)n1.CCc1cnc(CCCc2cc(C3OCC4(CC4)CN3C(=O)C(F)(F)F)cc(C)n2)n1Cc1ccc(F)cc1.Cc1cc(C(=O)O)cc(CCCc2ncc(CCCc3ccccc3)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nnc(CCc3ccccc3)n2Cc2ccc(F)cc2)n1.Cc1ccc(OCCC(C)C)c(CCCCc2cc(C(=O)O)cc(C)n2)c1
• InChI: InChI=1S/C29H32F4N4O2.C29H30FN3O2.C27H27FN4O2.C23H31NO3.C22H24FN3O3/c1-3-24-15-34-25(36(24)16-20-7-9-22(30)10-8-20)6-4-5-23-14-21(13-19(2)35-23)26-37(27(38)29(31,32)33)17-28(11-12-28)18-39-26;1-21-17-24(29(34)35)18-26(32-21)10-6-12-28-31-19-27(11-5-9-22-7-3-2-4-8-22)33(28)20-23-13-15-25(30)16-14-23;1-19-16-22(27(33)34)17-24(29-19)8-5-9-25-30-31-26(15-12-20-6-3-2-4-7-20)32(25)18-21-10-13-23(28)14-11-21;1-16(2)11-12-27-22-10-9-17(3)13-19(22)7-5-6-8-21-15-20(23(25)26)14-18(4)24-21;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/h7-10,13-15,26H,3-6,11-12,16-18H2,1-2H3;2-4,7-8,13-19H,5-6,9-12,20H2,1H3,(H,34,35);2-4,6-7,10-11,13-14,16-17H,5,8-9,12,15,18H2,1H3,(H,33,34);9-10,13-16H,5-8,11-12H2,1-4H3,(H,25,26);6-11,13,27H,2-5,12,14H2,1H3,(H,28,29)
• InChIKey: JPUAQMROEHFIOY-UHFFFAOYSA-N
• XLogP: 25.14
• TPSA: 356.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 48
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2241.66
LogP ≤ 5	25.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid?

The IUPAC name of 2-[3-[4-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid (CID 158987792) is 2-[3-[4-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[3-[4-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-[3-[4-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid is CCc1cn(Cc2ccc(F)cc2)c(CCCc2cc(C(=O)O)cc(CO)n2)n1.CCc1cnc(CCCc2cc(C3OCC4(CC4)CN3C(=O)C(F)(F)F)cc(C)n2)n1Cc1ccc(F)cc1.Cc1cc(C(=O)O)cc(CCCc2ncc(CCCc3ccccc3)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nnc(CCc3ccccc3)n2Cc2ccc(F)cc2)n1.Cc1ccc(OCCC(C)C)c(CCCCc2cc(C(=O)O)cc(C)n2)c1.

What is the InChIKey of 2-[3-[4-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid?

The InChIKey is JPUAQMROEHFIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F4N4O2.C29H30FN3O2.C27H27FN4O2.C23H31NO3.C22H24FN3O3/c1-3-24-15-34-25(36(24)16-20-7-9-22(30)10-8-20)6-4-5-23-14-21(13-19(2)35-23)26-37(27(38)29(31,32)33)17-28(11-12-28)18-39-26;1-21-17-24(29(34)35)18-26(32-21)10-6-12-28-31-19-27(11-5-9-22-7-3-2-4-8-22)33(28)20-23-13-15-25(30)16-14-23;1-19-16-22(27(33)34)17-24(29-19)8-5-9-25-30-31-26(15-12-20-6-3-2-4-7-20)32(25)18-21-10-13-23(28)14-11-21;1-16(2)11-12-27-22-10-9-17(3)13-19(22)7-5-6-8-21-15-20(23(25)26)14-18(4)24-21;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/h7-10,13-15,26H,3-6,11-12,16-18H2,1-2H3;2-4,7-8,13-19H,5-6,9-12,20H2,1H3,(H,34,35);2-4,6-7,10-11,13-14,16-17H,5,8-9,12,15,18H2,1H3,(H,33,34);9-10,13-16H,5-8,11-12H2,1-4H3,(H,25,26);6-11,13,27H,2-5,12,14H2,1H3,(H,28,29).

What are the key properties of 2-[3-[4-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid?

2-[3-[4-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid has a molecular weight of 2241.66 g/mol, XLogP of 25.14, 48 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;1-[6-[2-[3-[5-ethyl-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methyl-4-pyridinyl]-5-oxa-7-azaspiro[2.5]octan-7-yl]-2,2,2-trifluoroethanone;2-[3-[4-[(4-fluorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-5-(3-phenylpropyl)imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[4-[5-methyl-2-(3-methylbutoxy)phenyl]butyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158987792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).