2-(2-methoxyethoxy)ethyl 5-[4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate;molecular hydrogen

C30H32FN3O6 — CID 159013477

About 2-(2-methoxyethoxy)ethyl 5-[4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate;molecular hydrogen

2-(2-methoxyethoxy)ethyl 5-[4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate;molecular hydrogen (PubChem CID 159013477) has the molecular formula C30H32FN3O6 and a molecular weight of 549.60 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 5-[4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(2-methoxyethoxy)ethyl 5-[4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate;molecular hydrogen
• PubChem CID: 159013477
• Molecular Formula: C30H32FN3O6
• Molecular Weight: 549.60 g/mol
• Exact Mass: 549.23
• IUPAC Name: 2-(2-methoxyethoxy)ethyl 5-[4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate;molecular hydrogen
• SMILES: COCCOCCOC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.[H][H]
• InChI: InChI=1S/C30H30FN3O6.H2/c1-20-3-8-26(31)21(15-20)17-29(35)34-23-4-6-24(7-5-23)40-25-9-10-32-28(18-25)27-16-22(19-33-27)30(36)39-14-13-38-12-11-37-2;/h3-10,15-16,18-19,33H,11-14,17H2,1-2H3,(H,34,35);1H
• InChIKey: JSUFKHKZSCZXSC-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 111.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.60
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 5-[4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate;molecular hydrogen?

The IUPAC name of 2-(2-methoxyethoxy)ethyl 5-[4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate;molecular hydrogen (CID 159013477) is 2-(2-methoxyethoxy)ethyl 5-[4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate;molecular hydrogen.

What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 5-[4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate;molecular hydrogen?

The canonical SMILES for 2-(2-methoxyethoxy)ethyl 5-[4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate;molecular hydrogen is COCCOCCOC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Cc4cc(C)ccc4F)cc3)ccn2)c1.[H][H].

What is the InChIKey of 2-(2-methoxyethoxy)ethyl 5-[4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate;molecular hydrogen?

The InChIKey is JSUFKHKZSCZXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O6.H2/c1-20-3-8-26(31)21(15-20)17-29(35)34-23-4-6-24(7-5-23)40-25-9-10-32-28(18-25)27-16-22(19-33-27)30(36)39-14-13-38-12-11-37-2;/h3-10,15-16,18-19,33H,11-14,17H2,1-2H3,(H,34,35);1H.

What are the key properties of 2-(2-methoxyethoxy)ethyl 5-[4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate;molecular hydrogen?

2-(2-methoxyethoxy)ethyl 5-[4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate;molecular hydrogen has a molecular weight of 549.60 g/mol, XLogP of 5.56, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethoxy)ethyl 5-[4-[4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate;molecular hydrogen is sourced from PubChem (CID 159013477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).