2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid

C124H158FN17O18 — CID 158706705

About 2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid

2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid (PubChem CID 158706705) has the molecular formula C124H158FN17O18 and a molecular weight of 2193.73 g/mol. Its IUPAC name is 2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid
• PubChem CID: 158706705
• Molecular Formula: C124H158FN17O18
• Molecular Weight: 2193.73 g/mol
• Exact Mass: 2192.20
• IUPAC Name: 2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid
• SMILES: CC(C)C[C@@H](CO)CCc1cc(C(=O)O)cc(CO)n1.CC(C)c1nnc(CNCc2cc(C(=O)O)cc(CO)n2)n1Cc1ccc(F)cc1.CCCCCCCc1cccnc1CCCCc1cc(C(=O)O)cc(C)n1.COc1ccc(CCn2ccnc2CCCc2cc(C(=O)O)cc(C)n2)cc1OC.Cc1cc(C(=O)O)cc(CCCCc2ncccc2CCC(C)C)n1.O=C(O)c1cc(CO)nc(CCCc2nncn2CCCc2ccccc2)c1
• InChI: InChI=1S/C23H27N3O4.C23H32N2O2.C21H24FN5O3.C21H24N4O3.C21H28N2O2.C15H23NO4/c1-16-13-18(23(27)28)15-19(25-16)5-4-6-22-24-10-12-26(22)11-9-17-7-8-20(29-2)21(14-17)30-3;1-3-4-5-6-7-11-19-12-10-15-24-22(19)14-9-8-13-21-17-20(23(26)27)16-18(2)25-21;1-13(2)20-26-25-19(27(20)11-14-3-5-16(22)6-4-14)10-23-9-17-7-15(21(29)30)8-18(12-28)24-17;26-14-19-13-17(21(27)28)12-18(23-19)9-4-10-20-24-22-15-25(20)11-5-8-16-6-2-1-3-7-16;1-15(2)10-11-17-7-6-12-22-20(17)9-5-4-8-19-14-18(21(24)25)13-16(3)23-19;1-10(2)5-11(8-17)3-4-13-6-12(15(19)20)7-14(9-18)16-13/h7-8,10,12-15H,4-6,9,11H2,1-3H3,(H,27,28);10,12,15-17H,3-9,11,13-14H2,1-2H3,(H,26,27);3-8,13,23,28H,9-12H2,1-2H3,(H,29,30);1-3,6-7,12-13,15,26H,4-5,8-11,14H2,(H,27,28);6-7,12-15H,4-5,8-11H2,1-3H3,(H,24,25);6-7,10-11,17-18H,3-5,8-9H2,1-2H3,(H,19,20)/t;;;;;11-/m.....0/s1
• InChIKey: IIEVMAMLMSVXSV-MBXGFZHQSA-N
• XLogP: 20.91
• TPSA: 517.57 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 58
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.73
LogP ≤ 5	20.91
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid?

The IUPAC name of 2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid (CID 158706705) is 2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid is CC(C)C[C@@H](CO)CCc1cc(C(=O)O)cc(CO)n1.CC(C)c1nnc(CNCc2cc(C(=O)O)cc(CO)n2)n1Cc1ccc(F)cc1.CCCCCCCc1cccnc1CCCCc1cc(C(=O)O)cc(C)n1.COc1ccc(CCn2ccnc2CCCc2cc(C(=O)O)cc(C)n2)cc1OC.Cc1cc(C(=O)O)cc(CCCCc2ncccc2CCC(C)C)n1.O=C(O)c1cc(CO)nc(CCCc2nncn2CCCc2ccccc2)c1.

What is the InChIKey of 2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid?

The InChIKey is IIEVMAMLMSVXSV-MBXGFZHQSA-N. The full InChI is InChI=1S/C23H27N3O4.C23H32N2O2.C21H24FN5O3.C21H24N4O3.C21H28N2O2.C15H23NO4/c1-16-13-18(23(27)28)15-19(25-16)5-4-6-22-24-10-12-26(22)11-9-17-7-8-20(29-2)21(14-17)30-3;1-3-4-5-6-7-11-19-12-10-15-24-22(19)14-9-8-13-21-17-20(23(26)27)16-18(2)25-21;1-13(2)20-26-25-19(27(20)11-14-3-5-16(22)6-4-14)10-23-9-17-7-15(21(29)30)8-18(12-28)24-17;26-14-19-13-17(21(27)28)12-18(23-19)9-4-10-20-24-22-15-25(20)11-5-8-16-6-2-1-3-7-16;1-15(2)10-11-17-7-6-12-22-20(17)9-5-4-8-19-14-18(21(24)25)13-16(3)23-19;1-10(2)5-11(8-17)3-4-13-6-12(15(19)20)7-14(9-18)16-13/h7-8,10,12-15H,4-6,9,11H2,1-3H3,(H,27,28);10,12,15-17H,3-9,11,13-14H2,1-2H3,(H,26,27);3-8,13,23,28H,9-12H2,1-2H3,(H,29,30);1-3,6-7,12-13,15,26H,4-5,8-11,14H2,(H,27,28);6-7,12-15H,4-5,8-11H2,1-3H3,(H,24,25);6-7,10-11,17-18H,3-5,8-9H2,1-2H3,(H,19,20)/t;;;;;11-/m.....0/s1.

What are the key properties of 2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid?

2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid has a molecular weight of 2193.73 g/mol, XLogP of 20.91, 58 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[4-[(4-fluorophenyl)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]methylamino]methyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-[4-(3-heptyl-2-pyridinyl)butyl]-6-methylpyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[3-[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]propyl]pyridine-4-carboxylic acid;2-methyl-6-[4-[3-(3-methylbutyl)-2-pyridinyl]butyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158706705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).