5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile

C19H13F3N4O — CID 170178563

IUPAC5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile
SMILESC/N=C1\NC(=O)C2(CCc3c(C#N)cccc32)c2nc(C(F)(F)F)ccc21
InChIInChI=1S/C19H13F3N4O/c1-24-16-12-5-6-14(19(20,21)22)25-15(12)18(17(27)26-16)8-7-11-10(9-23)3-2-4-13(11)18/h2-6H,7-8H2,1H3,(H,24,26,27)
InChIKeyHLBHGSDDGCDNCM-UHFFFAOYSA-N
MW370.33 g/mol
LogP2.71
Rot. Bonds

About 5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile

5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile (PubChem CID 170178563) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile.

Molecular Properties

Compound Name5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile
PubChem CID170178563
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile
SMILESC/N=C1\NC(=O)C2(CCc3c(C#N)cccc32)c2nc(C(F)(F)F)ccc21
InChIInChI=1S/C19H13F3N4O/c1-24-16-12-5-6-14(19(20,21)22)25-15(12)18(17(27)26-16)8-7-11-10(9-23)3-2-4-13(11)18/h2-6H,7-8H2,1H3,(H,24,26,27)
InChIKeyHLBHGSDDGCDNCM-UHFFFAOYSA-N
XLogP2.71
TPSA78.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile?
The IUPAC name of 5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile (CID 170178563) is 5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile.
What is the SMILES notation for 5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile?
The canonical SMILES for 5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile is C/N=C1\NC(=O)C2(CCc3c(C#N)cccc32)c2nc(C(F)(F)F)ccc21.
What is the InChIKey of 5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile?
The InChIKey is HLBHGSDDGCDNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c1-24-16-12-5-6-14(19(20,21)22)25-15(12)18(17(27)26-16)8-7-11-10(9-23)3-2-4-13(11)18/h2-6H,7-8H2,1H3,(H,24,26,27).
What are the key properties of 5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile?
5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile has a molecular weight of 370.33 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile is sourced from PubChem (CID 170178563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).