4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

C25H20F4N4O4 — CID 89056202

About 4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide

4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 89056202) has the molecular formula C25H20F4N4O4 and a molecular weight of 516.45 g/mol. Its IUPAC name is 4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
• PubChem CID: 89056202
• Molecular Formula: C25H20F4N4O4
• Molecular Weight: 516.45 g/mol
• Exact Mass: 516.14
• IUPAC Name: 4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
• SMILES: CON(C)C(=O)c1cc(Oc2ccc3c(cc(C)n3C(=O)Nc3cccc(C(F)(F)F)c3)c2F)ccn1
• InChI: InChI=1S/C25H20F4N4O4/c1-14-11-18-20(33(14)24(35)31-16-6-4-5-15(12-16)25(27,28)29)7-8-21(22(18)26)37-17-9-10-30-19(13-17)23(34)32(2)36-3/h4-13H,1-3H3,(H,31,35)
• InChIKey: WYNLTVFDEHSVRT-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.45
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?

The IUPAC name of 4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 89056202) is 4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide.

What is the SMILES notation for 4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?

The canonical SMILES for 4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is CON(C)C(=O)c1cc(Oc2ccc3c(cc(C)n3C(=O)Nc3cccc(C(F)(F)F)c3)c2F)ccn1.

What is the InChIKey of 4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?

The InChIKey is WYNLTVFDEHSVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N4O4/c1-14-11-18-20(33(14)24(35)31-16-6-4-5-15(12-16)25(27,28)29)7-8-21(22(18)26)37-17-9-10-30-19(13-17)23(34)32(2)36-3/h4-13H,1-3H3,(H,31,35).

What are the key properties of 4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide?

4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 516.45 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 89056202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).