2-[3-[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid

C112H125F3N18O16 — CID 158154177

About 2-[3-[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid

2-[3-[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid (PubChem CID 158154177) has the molecular formula C112H125F3N18O16 and a molecular weight of 2036.34 g/mol. Its IUPAC name is 2-[3-[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[3-[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid
• PubChem CID: 158154177
• Molecular Formula: C112H125F3N18O16
• Molecular Weight: 2036.34 g/mol
• Exact Mass: 2034.95
• IUPAC Name: 2-[3-[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid
• SMILES: COC(=O)c1cn(Cc2ccc(F)cc2)c(CCCc2cc(C(=O)O)cc(CO)n2)n1.COc1ccc(OCc2ccccc2)c(CCCCc2cc(C(=O)O)cc(CO)n2)n1.Cc1cc(C(=O)O)cc(CCCc2ncc(CN(C)C)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nccn2Cc2cccc(CN)c2)n1.Cc1cc(C(=O)O)cc(CNCc2nnc(C(C)(C)C)n2Cc2ccc(F)cc2)n1
• InChI: InChI=1S/C24H26N2O5.C23H27FN4O2.C22H26FN5O2.C22H22FN3O5.C21H24N4O2/c1-30-23-12-11-22(31-16-17-7-3-2-4-8-17)21(26-23)10-6-5-9-19-13-18(24(28)29)14-20(15-27)25-19;1-16-11-18(23(29)30)12-20(26-16)5-4-6-22-25-13-21(15-27(2)3)28(22)14-17-7-9-19(24)10-8-17;1-14-9-16(20(29)30)10-18(25-14)11-24-12-19-26-27-21(22(2,3)4)28(19)13-15-5-7-17(23)8-6-15;1-31-22(30)19-12-26(11-14-5-7-16(23)8-6-14)20(25-19)4-2-3-17-9-15(21(28)29)10-18(13-27)24-17;1-15-10-18(21(26)27)12-19(24-15)6-3-7-20-23-8-9-25(20)14-17-5-2-4-16(11-17)13-22/h2-4,7-8,11-14,27H,5-6,9-10,15-16H2,1H3,(H,28,29);7-13H,4-6,14-15H2,1-3H3,(H,29,30);5-10,24H,11-13H2,1-4H3,(H,29,30);5-10,12,27H,2-4,11,13H2,1H3,(H,28,29);2,4-5,8-12H,3,6-7,13-14,22H2,1H3,(H,26,27)
• InChIKey: FVMBPXWBJREVTQ-UHFFFAOYSA-N
• XLogP: 16.57
• TPSA: 474.52 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 44
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2036.34
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	9
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-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid?

The IUPAC name of 2-[3-[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid (CID 158154177) is 2-[3-[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[3-[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-[3-[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid is COC(=O)c1cn(Cc2ccc(F)cc2)c(CCCc2cc(C(=O)O)cc(CO)n2)n1.COc1ccc(OCc2ccccc2)c(CCCCc2cc(C(=O)O)cc(CO)n2)n1.Cc1cc(C(=O)O)cc(CCCc2ncc(CN(C)C)n2Cc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCc2nccn2Cc2cccc(CN)c2)n1.Cc1cc(C(=O)O)cc(CNCc2nnc(C(C)(C)C)n2Cc2ccc(F)cc2)n1.

What is the InChIKey of 2-[3-[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid?

The InChIKey is FVMBPXWBJREVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5.C23H27FN4O2.C22H26FN5O2.C22H22FN3O5.C21H24N4O2/c1-30-23-12-11-22(31-16-17-7-3-2-4-8-17)21(26-23)10-6-5-9-19-13-18(24(28)29)14-20(15-27)25-19;1-16-11-18(23(29)30)12-20(26-16)5-4-6-22-25-13-21(15-27(2)3)28(22)14-17-7-9-19(24)10-8-17;1-14-9-16(20(29)30)10-18(25-14)11-24-12-19-26-27-21(22(2,3)4)28(19)13-15-5-7-17(23)8-6-15;1-31-22(30)19-12-26(11-14-5-7-16(23)8-6-14)20(25-19)4-2-3-17-9-15(21(28)29)10-18(13-27)24-17;1-15-10-18(21(26)27)12-19(24-15)6-3-7-20-23-8-9-25(20)14-17-5-2-4-16(11-17)13-22/h2-4,7-8,11-14,27H,5-6,9-10,15-16H2,1H3,(H,28,29);7-13H,4-6,14-15H2,1-3H3,(H,29,30);5-10,24H,11-13H2,1-4H3,(H,29,30);5-10,12,27H,2-4,11,13H2,1H3,(H,28,29);2,4-5,8-12H,3,6-7,13-14,22H2,1H3,(H,26,27).

What are the key properties of 2-[3-[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid?

2-[3-[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid has a molecular weight of 2036.34 g/mol, XLogP of 16.57, 44 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[[[5-tert-butyl-4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methylamino]methyl]-6-methylpyridine-4-carboxylic acid;2-[3-[5-[(dimethylamino)methyl]-1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]-4-methoxycarbonylimidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[4-(6-methoxy-3-phenylmethoxy-2-pyridinyl)butyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158154177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).