6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid

C124H154N14O20 — CID 159536023

About 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid

6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid (PubChem CID 159536023) has the molecular formula C124H154N14O20 and a molecular weight of 2166.71 g/mol. Its IUPAC name is 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid.

Molecular Properties

• Compound Name: 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
• PubChem CID: 159536023
• Molecular Formula: C124H154N14O20
• Molecular Weight: 2166.71 g/mol
• Exact Mass: 2165.18
• IUPAC Name: 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
• SMILES: [2H]C(CCN1CCOCC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccncc2)cc1.[2H]C(CCN1CCOCC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2cn[nH]c2)cc1.[2H]C([2H])(CCN1CCOCC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccncc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(CCCN1CCOCC1)C(=O)c1ccc(-c2cn[nH]c2)cc1
• InChI: InChI=1S/2C32H39N3O5.2C30H38N4O5/c2*36-31(37)9-2-1-5-22-40-30-8-4-3-7-29(30)25-35(19-6-18-34-20-23-39-24-21-34)32(38)28-12-10-26(11-13-28)27-14-16-33-17-15-27;2*35-29(36)9-2-1-5-18-39-28-8-4-3-7-26(28)23-34(15-6-14-33-16-19-38-20-17-33)30(37)25-12-10-24(11-13-25)27-21-31-32-22-27/h2*3-4,7-8,10-17H,1-2,5-6,9,18-25H2,(H,36,37);2*3-4,7-8,10-13,21-22H,1-2,5-6,9,14-20,23H2,(H,31,32)(H,35,36)/i19D2;19D;23D2;15D
• InChIKey: MDPFKILFRHMZAJ-PVKTXCLBSA-N
• XLogP: 19.20
• TPSA: 400.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 60
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2166.71
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

The IUPAC name of 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid (CID 159536023) is 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid.

What is the SMILES notation for 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

The canonical SMILES for 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid is [2H]C(CCN1CCOCC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccncc2)cc1.[2H]C(CCN1CCOCC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2cn[nH]c2)cc1.[2H]C([2H])(CCN1CCOCC1)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c1ccc(-c2ccncc2)cc1.[2H]C([2H])(c1ccccc1OCCCCCC(=O)O)N(CCCN1CCOCC1)C(=O)c1ccc(-c2cn[nH]c2)cc1.

What is the InChIKey of 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

The InChIKey is MDPFKILFRHMZAJ-PVKTXCLBSA-N. The full InChI is InChI=1S/2C32H39N3O5.2C30H38N4O5/c2*36-31(37)9-2-1-5-22-40-30-8-4-3-7-29(30)25-35(19-6-18-34-20-23-39-24-21-34)32(38)28-12-10-26(11-13-28)27-14-16-33-17-15-27;2*35-29(36)9-2-1-5-18-39-28-8-4-3-7-26(28)23-34(15-6-14-33-16-19-38-20-17-33)30(37)25-12-10-24(11-13-25)27-21-31-32-22-27/h2*3-4,7-8,10-17H,1-2,5-6,9,18-25H2,(H,36,37);2*3-4,7-8,10-13,21-22H,1-2,5-6,9,14-20,23H2,(H,31,32)(H,35,36)/i19D2;19D;23D2;15D.

What are the key properties of 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid?

6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid has a molecular weight of 2166.71 g/mol, XLogP of 19.20, 60 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1-deuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid;6-[2-[dideuterio-[3-morpholin-4-ylpropyl-[4-(1H-pyrazol-4-yl)benzoyl]amino]methyl]phenoxy]hexanoic acid;6-[2-[[(1,1-dideuterio-3-morpholin-4-ylpropyl)-(4-pyridin-4-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid is sourced from PubChem (CID 159536023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).