7-fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one

C18H13F4N3O — CID 170178661

IUPAC7-fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
SMILESC/N=C1\NC(=O)C2(CCc3c(F)cccc32)c2nc(C(F)(F)F)ccc21
InChIInChI=1S/C18H13F4N3O/c1-23-15-10-5-6-13(18(20,21)22)24-14(10)17(16(26)25-15)8-7-9-11(17)3-2-4-12(9)19/h2-6H,7-8H2,1H3,(H,23,25,26)
InChIKeyVYJXAKIQEPJJBM-UHFFFAOYSA-N
MW363.31 g/mol
LogP2.98
Rot. Bonds

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

7-fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one (PubChem CID 170178661) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is 7-fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one.

Molecular Properties

Compound Name7-fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
PubChem CID170178661
Molecular FormulaC18H13F4N3O
Molecular Weight363.31 g/mol
Exact Mass363.10
IUPAC Name7-fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
SMILESC/N=C1\NC(=O)C2(CCc3c(F)cccc32)c2nc(C(F)(F)F)ccc21
InChIInChI=1S/C18H13F4N3O/c1-23-15-10-5-6-13(18(20,21)22)24-14(10)17(16(26)25-15)8-7-9-11(17)3-2-4-12(9)19/h2-6H,7-8H2,1H3,(H,23,25,26)
InChIKeyVYJXAKIQEPJJBM-UHFFFAOYSA-N
XLogP2.98
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,5'-6,7-dihydrocyclopenta[b]pyridine]-7-one
CID 170178075
5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,4'-2,3-dihydro-1H-naphthalene]-7-one
CID 170178079
1'-Methylimino-6'-(trifluoromethyl)spiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-3'-one
CID 170178093
6-Fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
CID 170178118
1',1'-dimethyl-5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-indene]-7-one
CID 170178119
8-Methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one
CID 170178121
6'-(1,1-Difluoroethyl)-1'-methyliminospiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-3'-one
CID 170178160
5-Fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
CID 170178161
1'-Methylimino-6'-(1,1,2,2,2-pentafluoroethyl)spiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-3'-one
CID 170178187
5'-Methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
CID 170178503
5-Methylimino-7-oxo-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,1'-2,3-dihydroindene]-4'-carbonitrile
CID 170178563
7-Bromo-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
CID 170178564

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
The IUPAC name of 7-fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one (CID 170178661) is 7-fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one.
What is the SMILES notation for 7-fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
The canonical SMILES for 7-fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one is C/N=C1\NC(=O)C2(CCc3c(F)cccc32)c2nc(C(F)(F)F)ccc21.
What is the InChIKey of 7-fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
The InChIKey is VYJXAKIQEPJJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O/c1-23-15-10-5-6-13(18(20,21)22)24-14(10)17(16(26)25-15)8-7-9-11(17)3-2-4-12(9)19/h2-6H,7-8H2,1H3,(H,23,25,26).
What are the key properties of 7-fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
7-fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one has a molecular weight of 363.31 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one is sourced from PubChem (CID 170178661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).