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

C25H20F4N4O4 — CID 89056202

IUPAC4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESCON(C)C(=O)c1cc(Oc2ccc3c(cc(C)n3C(=O)Nc3cccc(C(F)(F)F)c3)c2F)ccn1
InChIInChI=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)
InChIKeyWYNLTVFDEHSVRT-UHFFFAOYSA-N
MW516.45 g/mol
LogP6.01
Rot. Bonds5

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 Name4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
PubChem CID89056202
Molecular FormulaC25H20F4N4O4
Molecular Weight516.45 g/mol
Exact Mass516.14
IUPAC Name4-fluoro-5-[[2-[methoxy(methyl)carbamoyl]-4-pyridinyl]oxy]-2-methyl-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESCON(C)C(=O)c1cc(Oc2ccc3c(cc(C)n3C(=O)Nc3cccc(C(F)(F)F)c3)c2F)ccn1
InChIInChI=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)
InChIKeyWYNLTVFDEHSVRT-UHFFFAOYSA-N
XLogP6.01
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.45
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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).