5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[3-[2-(hydroxymethyl)morpholin-4-yl]propyl]-1H-pyrrole-3-carboxamide

C34H36F2N4O5 — CID 147651070

About 5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[3-[2-(hydroxymethyl)morpholin-4-yl]propyl]-1H-pyrrole-3-carboxamide

5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[3-[2-(hydroxymethyl)morpholin-4-yl]propyl]-1H-pyrrole-3-carboxamide (PubChem CID 147651070) has the molecular formula C34H36F2N4O5 and a molecular weight of 618.68 g/mol. Its IUPAC name is 5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[3-[2-(hydroxymethyl)morpholin-4-yl]propyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[3-[2-(hydroxymethyl)morpholin-4-yl]propyl]-1H-pyrrole-3-carboxamide
• PubChem CID: 147651070
• Molecular Formula: C34H36F2N4O5
• Molecular Weight: 618.68 g/mol
• Exact Mass: 618.27
• IUPAC Name: 5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[3-[2-(hydroxymethyl)morpholin-4-yl]propyl]-1H-pyrrole-3-carboxamide
• SMILES: Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCN5CCOC(CO)C5)c[nH]4)c3)cc2F)c1
• InChI: InChI=1S/C34H36F2N4O5/c1-22-3-6-30(35)24(13-22)15-26(42)14-23-4-5-27(17-31(23)36)45-28-7-9-37-33(18-28)32-16-25(19-39-32)34(43)38-8-2-10-40-11-12-44-29(20-40)21-41/h3-7,9,13,16-19,29,39,41H,2,8,10-12,14-15,20-21H2,1H3,(H,38,43)
• InChIKey: GJMUWADQCLBLQL-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 116.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	618.68
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	3
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 5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[3-[2-(hydroxymethyl)morpholin-4-yl]propyl]-1H-pyrrole-3-carboxamide?

The IUPAC name of 5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[3-[2-(hydroxymethyl)morpholin-4-yl]propyl]-1H-pyrrole-3-carboxamide (CID 147651070) is 5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[3-[2-(hydroxymethyl)morpholin-4-yl]propyl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[3-[2-(hydroxymethyl)morpholin-4-yl]propyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for 5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[3-[2-(hydroxymethyl)morpholin-4-yl]propyl]-1H-pyrrole-3-carboxamide is Cc1ccc(F)c(CC(=O)Cc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCN5CCOC(CO)C5)c[nH]4)c3)cc2F)c1.

What is the InChIKey of 5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[3-[2-(hydroxymethyl)morpholin-4-yl]propyl]-1H-pyrrole-3-carboxamide?

The InChIKey is GJMUWADQCLBLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F2N4O5/c1-22-3-6-30(35)24(13-22)15-26(42)14-23-4-5-27(17-31(23)36)45-28-7-9-37-33(18-28)32-16-25(19-39-32)34(43)38-8-2-10-40-11-12-44-29(20-40)21-41/h3-7,9,13,16-19,29,39,41H,2,8,10-12,14-15,20-21H2,1H3,(H,38,43).

What are the key properties of 5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[3-[2-(hydroxymethyl)morpholin-4-yl]propyl]-1H-pyrrole-3-carboxamide?

5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[3-[2-(hydroxymethyl)morpholin-4-yl]propyl]-1H-pyrrole-3-carboxamide has a molecular weight of 618.68 g/mol, XLogP of 4.62, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-fluoro-4-[3-(2-fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]-N-[3-[2-(hydroxymethyl)morpholin-4-yl]propyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 147651070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).