5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-pyrrole-3-carboxamide

C32H36FN5O7 — CID 51001039

About 5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-pyrrole-3-carboxamide

5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 51001039) has the molecular formula C32H36FN5O7 and a molecular weight of 621.67 g/mol. Its IUPAC name is 5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-pyrrole-3-carboxamide
• PubChem CID: 51001039
• Molecular Formula: C32H36FN5O7
• Molecular Weight: 621.67 g/mol
• Exact Mass: 621.26
• IUPAC Name: 5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-pyrrole-3-carboxamide
• SMILES: Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCOCCOCCOCCO)c[nH]4)c3)cc2)c1
• InChI: InChI=1S/C32H36FN5O7/c1-22-2-7-27(33)28(18-22)38-32(41)37-24-3-5-25(6-4-24)45-26-8-9-34-30(20-26)29-19-23(21-36-29)31(40)35-10-12-42-14-16-44-17-15-43-13-11-39/h2-9,18-21,36,39H,10-17H2,1H3,(H,35,40)(H2,37,38,41)
• InChIKey: RNMRATSEDNFEIV-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 156.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	621.67
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-pyrrole-3-carboxamide?

The IUPAC name of 5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-pyrrole-3-carboxamide (CID 51001039) is 5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for 5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-pyrrole-3-carboxamide is Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCOCCOCCOCCO)c[nH]4)c3)cc2)c1.

What is the InChIKey of 5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-pyrrole-3-carboxamide?

The InChIKey is RNMRATSEDNFEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN5O7/c1-22-2-7-27(33)28(18-22)38-32(41)37-24-3-5-25(6-4-24)45-26-8-9-34-30(20-26)29-19-23(21-36-29)31(40)35-10-12-42-14-16-44-17-15-43-13-11-39/h2-9,18-21,36,39H,10-17H2,1H3,(H,35,40)(H2,37,38,41).

What are the key properties of 5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-pyrrole-3-carboxamide?

5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 621.67 g/mol, XLogP of 4.73, 17 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenoxy]-2-pyridinyl]-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 51001039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).