4-[4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid;4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]butanoic acid;3-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoic acid;(E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid;4-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenyl]butanoic acid

C120H115N19O19 — CID 160826723

About 4-[4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid;4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]butanoic acid;3-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoic acid;(E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid;4-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenyl]butanoic acid

4-[4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid;4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]butanoic acid;3-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoic acid;(E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid;4-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenyl]butanoic acid (PubChem CID 160826723) has the molecular formula C120H115N19O19 and a molecular weight of 2127.35 g/mol. Its IUPAC name is 4-[4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid;4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]butanoic acid;3-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoic acid;(E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid;4-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenyl]butanoic acid.

Molecular Properties

• Compound Name: 4-[4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid;4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]butanoic acid;3-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoic acid;(E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid;4-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenyl]butanoic acid
• PubChem CID: 160826723
• Molecular Formula: C120H115N19O19
• Molecular Weight: 2127.35 g/mol
• Exact Mass: 2125.86
• IUPAC Name: 4-[4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid;4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]butanoic acid;3-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoic acid;(E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid;4-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenyl]butanoic acid
• SMILES: O=C(NCc1ccccc1C(=O)O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1.O=C(O)/C=C/c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1.O=C(O)CCCc1ccc(CCCOc2ccc(-c3ccn[nH]3)nc2)cc1.O=C(O)CCCc1ccc(CCOc2ccc(-c3ccn[nH]3)nc2)cc1.O=C(O)CCCc1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1.O=C(O)CCc1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1
• InChI: InChI=1S/C24H20N4O4.C21H23N3O3.C20H21N3O3.C19H19N3O3.C18H17N3O3.C18H15N3O3/c29-23(26-13-18-5-1-2-7-20(18)24(30)31)17-6-3-4-16(12-17)15-32-19-8-9-21(25-14-19)22-10-11-27-28-22;25-21(26)5-1-3-16-6-8-17(9-7-16)4-2-14-27-18-10-11-19(22-15-18)20-12-13-23-24-20;24-20(25)3-1-2-15-4-6-16(7-5-15)11-13-26-17-8-9-18(21-14-17)19-10-12-22-23-19;23-19(24)3-1-2-14-4-6-15(7-5-14)13-25-16-8-9-17(20-12-16)18-10-11-21-22-18;22-18(23)8-5-13-1-3-14(4-2-13)12-24-15-6-7-16(19-11-15)17-9-10-20-21-17;22-18(23)7-4-13-2-1-3-14(10-13)12-24-15-5-6-16(19-11-15)17-8-9-20-21-17/h1-12,14H,13,15H2,(H,26,29)(H,27,28)(H,30,31);6-13,15H,1-5,14H2,(H,23,24)(H,25,26);4-10,12,14H,1-3,11,13H2,(H,22,23)(H,24,25);4-12H,1-3,13H2,(H,21,22)(H,23,24);1-4,6-7,9-11H,5,8,12H2,(H,20,21)(H,22,23);1-11H,12H2,(H,20,21)(H,22,23)/b;;;;;7-4+
• InChIKey: SGGRYJKDKZQQGE-SQCVYINJSA-N
• XLogP: 20.74
• TPSA: 557.70 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 25
• Rotatable Bonds: 48
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2127.35
LogP ≤ 5	20.74
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid;4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]butanoic acid;3-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoic acid;(E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid;4-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenyl]butanoic acid?

The IUPAC name of 4-[4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid;4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]butanoic acid;3-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoic acid;(E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid;4-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenyl]butanoic acid (CID 160826723) is 4-[4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid;4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]butanoic acid;3-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoic acid;(E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid;4-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenyl]butanoic acid.

What is the SMILES notation for 4-[4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid;4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]butanoic acid;3-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoic acid;(E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid;4-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenyl]butanoic acid?

The canonical SMILES for 4-[4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid;4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]butanoic acid;3-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoic acid;(E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid;4-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenyl]butanoic acid is O=C(NCc1ccccc1C(=O)O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1.O=C(O)/C=C/c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1.O=C(O)CCCc1ccc(CCCOc2ccc(-c3ccn[nH]3)nc2)cc1.O=C(O)CCCc1ccc(CCOc2ccc(-c3ccn[nH]3)nc2)cc1.O=C(O)CCCc1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1.O=C(O)CCc1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1.

What is the InChIKey of 4-[4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid;4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]butanoic acid;3-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoic acid;(E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid;4-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenyl]butanoic acid?

The InChIKey is SGGRYJKDKZQQGE-SQCVYINJSA-N. The full InChI is InChI=1S/C24H20N4O4.C21H23N3O3.C20H21N3O3.C19H19N3O3.C18H17N3O3.C18H15N3O3/c29-23(26-13-18-5-1-2-7-20(18)24(30)31)17-6-3-4-16(12-17)15-32-19-8-9-21(25-14-19)22-10-11-27-28-22;25-21(26)5-1-3-16-6-8-17(9-7-16)4-2-14-27-18-10-11-19(22-15-18)20-12-13-23-24-20;24-20(25)3-1-2-15-4-6-16(7-5-15)11-13-26-17-8-9-18(21-14-17)19-10-12-22-23-19;23-19(24)3-1-2-14-4-6-15(7-5-14)13-25-16-8-9-17(20-12-16)18-10-11-21-22-18;22-18(23)8-5-13-1-3-14(4-2-13)12-24-15-6-7-16(19-11-15)17-9-10-20-21-17;22-18(23)7-4-13-2-1-3-14(10-13)12-24-15-5-6-16(19-11-15)17-8-9-20-21-17/h1-12,14H,13,15H2,(H,26,29)(H,27,28)(H,30,31);6-13,15H,1-5,14H2,(H,23,24)(H,25,26);4-10,12,14H,1-3,11,13H2,(H,22,23)(H,24,25);4-12H,1-3,13H2,(H,21,22)(H,23,24);1-4,6-7,9-11H,5,8,12H2,(H,20,21)(H,22,23);1-11H,12H2,(H,20,21)(H,22,23)/b;;;;;7-4+.

What are the key properties of 4-[4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid;4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]butanoic acid;3-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoic acid;(E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid;4-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenyl]butanoic acid?

4-[4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid;4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]butanoic acid;3-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoic acid;(E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid;4-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenyl]butanoic acid has a molecular weight of 2127.35 g/mol, XLogP of 20.74, 48 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]phenyl]butanoic acid;2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid;4-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]butanoic acid;3-[4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanoic acid;(E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid;4-[4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]phenyl]butanoic acid is sourced from PubChem (CID 160826723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).