5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid

C32H26F6N4O6 — CID 158633098

About 5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid

5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 158633098) has the molecular formula C32H26F6N4O6 and a molecular weight of 676.57 g/mol. Its IUPAC name is 5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 158633098
• Molecular Formula: C32H26F6N4O6
• Molecular Weight: 676.57 g/mol
• Exact Mass: 676.18
• IUPAC Name: 5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(NCCOc1ccccc1)c1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2cccc(C(F)(F)F)c2)ccn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C30H25F3N4O4.C2HF3O2/c31-30(32,33)21-5-4-6-22(18-21)36-29(39)37-15-12-20-17-24(9-10-27(20)37)41-25-11-13-34-26(19-25)28(38)35-14-16-40-23-7-2-1-3-8-23;3-2(4,5)1(6)7/h1-11,13,17-19H,12,14-16H2,(H,35,38)(H,36,39);(H,6,7)
• InChIKey: HZKYMLPGZRXHAJ-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 130.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.57
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid (CID 158633098) is 5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCCOc1ccccc1)c1cc(Oc2ccc3c(c2)CCN3C(=O)Nc2cccc(C(F)(F)F)c2)ccn1.O=C(O)C(F)(F)F.

What is the InChIKey of 5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is HZKYMLPGZRXHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N4O4.C2HF3O2/c31-30(32,33)21-5-4-6-22(18-21)36-29(39)37-15-12-20-17-24(9-10-27(20)37)41-25-11-13-34-26(19-25)28(38)35-14-16-40-23-7-2-1-3-8-23;3-2(4,5)1(6)7/h1-11,13,17-19H,12,14-16H2,(H,35,38)(H,36,39);(H,6,7).

What are the key properties of 5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid?

5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 676.57 g/mol, XLogP of 6.93, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-(2-phenoxyethylcarbamoyl)-4-pyridinyl]oxy]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158633098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).