2-[3-[4-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-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-[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-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid

C125H149F2N17O15 — CID 157411327

About 2-[3-[4-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-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-[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-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid

2-[3-[4-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-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-[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-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid (PubChem CID 157411327) has the molecular formula C125H149F2N17O15 and a molecular weight of 2167.67 g/mol. Its IUPAC name is 2-[3-[4-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-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-[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-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[3-[4-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-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-[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-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid
• PubChem CID: 157411327
• Molecular Formula: C125H149F2N17O15
• Molecular Weight: 2167.67 g/mol
• Exact Mass: 2166.14
• IUPAC Name: 2-[3-[4-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-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-[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-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid
• SMILES: CC(C)c1nnc(CNCc2cc(C(=O)O)cc(CO)n2)n1Cc1ccc(F)cc1.CCCCCCCc1cccnc1CCCCc1cc(C(=O)O)cc(C)n1.Cc1cc(C(=O)O)cc(CCC2CCCc3cccnc32)n1.Cc1cc(C(=O)O)cc(CCCC2=NCC=C2COc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCCc2ncccc2CCC(C)C)n1.O=C(O)c1cc(CO)nc(CCCc2nncn2CCCc2ccccc2)c1
• InChI: InChI=1S/C23H32N2O2.C21H24FN5O3.C21H21FN2O3.C21H24N4O3.C21H28N2O2.C18H20N2O2/c1-3-4-5-6-7-11-19-12-10-15-24-22(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;1-14-11-16(21(25)26)12-18(24-14)3-2-4-20-15(9-10-23-20)13-27-19-7-5-17(22)6-8-19;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;1-12-10-15(18(21)22)11-16(20-12)8-7-14-5-2-4-13-6-3-9-19-17(13)14/h10,12,15-17H,3-9,11,13-14H2,1-2H3,(H,26,27);3-8,13,23,28H,9-12H2,1-2H3,(H,29,30);5-9,11-12H,2-4,10,13H2,1H3,(H,25,26);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);3,6,9-11,14H,2,4-5,7-8H2,1H3,(H,21,22)
• InChIKey: BOHZKOBTXIFPAE-UHFFFAOYSA-N
• XLogP: 22.88
• TPSA: 475.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 52
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2167.67
LogP ≤ 5	22.88
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

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-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-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-[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-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid?

The IUPAC name of 2-[3-[4-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-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-[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-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid (CID 157411327) is 2-[3-[4-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-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-[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-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[3-[4-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-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-[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-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-[3-[4-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-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-[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-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid is CC(C)c1nnc(CNCc2cc(C(=O)O)cc(CO)n2)n1Cc1ccc(F)cc1.CCCCCCCc1cccnc1CCCCc1cc(C(=O)O)cc(C)n1.Cc1cc(C(=O)O)cc(CCC2CCCc3cccnc32)n1.Cc1cc(C(=O)O)cc(CCCC2=NCC=C2COc2ccc(F)cc2)n1.Cc1cc(C(=O)O)cc(CCCCc2ncccc2CCC(C)C)n1.O=C(O)c1cc(CO)nc(CCCc2nncn2CCCc2ccccc2)c1.

What is the InChIKey of 2-[3-[4-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-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-[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-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid?

The InChIKey is BOHZKOBTXIFPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2.C21H24FN5O3.C21H21FN2O3.C21H24N4O3.C21H28N2O2.C18H20N2O2/c1-3-4-5-6-7-11-19-12-10-15-24-22(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;1-14-11-16(21(25)26)12-18(24-14)3-2-4-20-15(9-10-23-20)13-27-19-7-5-17(22)6-8-19;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;1-12-10-15(18(21)22)11-16(20-12)8-7-14-5-2-4-13-6-3-9-19-17(13)14/h10,12,15-17H,3-9,11,13-14H2,1-2H3,(H,26,27);3-8,13,23,28H,9-12H2,1-2H3,(H,29,30);5-9,11-12H,2-4,10,13H2,1H3,(H,25,26);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);3,6,9-11,14H,2,4-5,7-8H2,1H3,(H,21,22).

What are the key properties of 2-[3-[4-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-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-[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-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid?

2-[3-[4-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-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-[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-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid has a molecular weight of 2167.67 g/mol, XLogP of 22.88, 52 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-[(4-fluorophenoxy)methyl]-2H-pyrrol-5-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-[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-methyl-6-[2-(5,6,7,8-tetrahydroquinolin-8-yl)ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 157411327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).