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

C19H14F5N3O — CID 170178209

IUPAC(3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
SMILESO=C1N/C(=N\CC(F)F)c2ccc(C(F)(F)F)nc2[C@@]12CCc1ccccc12
InChIInChI=1S/C19H14F5N3O/c20-14(21)9-25-16-11-5-6-13(19(22,23)24)26-15(11)18(17(28)27-16)8-7-10-3-1-2-4-12(10)18/h1-6,14H,7-9H2,(H,25,27,28)/t18-/m0/s1
InChIKeyAGIDOLQWPDMMMW-SFHVURJKSA-N
MW395.33 g/mol
LogP3.47
Rot. Bonds2

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

(3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one (PubChem CID 170178209) has the molecular formula C19H14F5N3O and a molecular weight of 395.33 g/mol. Its IUPAC name is (3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one.

Molecular Properties

Compound Name(3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
PubChem CID170178209
Molecular FormulaC19H14F5N3O
Molecular Weight395.33 g/mol
Exact Mass395.11
IUPAC Name(3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
SMILESO=C1N/C(=N\CC(F)F)c2ccc(C(F)(F)F)nc2[C@@]12CCc1ccccc12
InChIInChI=1S/C19H14F5N3O/c20-14(21)9-25-16-11-5-6-13(19(22,23)24)26-15(11)18(17(28)27-16)8-7-10-3-1-2-4-12(10)18/h1-6,14H,7-9H2,(H,25,27,28)/t18-/m0/s1
InChIKeyAGIDOLQWPDMMMW-SFHVURJKSA-N
XLogP3.47
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 53.47
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

(3S)-5'-(cyclopropylmethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
CID 170178205
5-methylimino-2-(trifluoromethyl)spiro[1,6-naphthyridine-8,5'-6,7-dihydrocyclopenta[b]pyridine]-7-one
CID 170178075
2'-ethoxy-5'-methyliminospiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
CID 170178566
2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-5',7'-dione
CID 170178455
5'-sulfanylidene-2'-(2,2,2-trifluoroethylamino)spiro[1,2-dihydroindene-3,8'-pyrido[4,3-d]pyrimidine]-7'-one
CID 170178525
2-(trifluoromethyl)spiro[1,6-naphthyridine-8,3'-2H-1-benzofuran]-5,7-dione
CID 170178448
6'-(1,1-difluoroethyl)-1'-(2,2,2-trifluoroethylimino)spiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-3'-one
CID 170178183
2-(trifluoromethyl)spiro[6,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane]-5-one
CID 163371195
(3S)-3'-(2,2,2-trifluoroethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 99616144
3-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
CID 102434641
spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2'-one
CID 105442633
6'-(1,1-difluoroethyl)spiro[6,7-dihydrocyclopenta[b]pyridine-5,4'-isoquinoline]-1',3'-dione
CID 170178424

Frequently Asked Questions

What is the IUPAC name of (3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
The IUPAC name of (3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one (CID 170178209) is (3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one.
What is the SMILES notation for (3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
The canonical SMILES for (3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one is O=C1N/C(=N\CC(F)F)c2ccc(C(F)(F)F)nc2[C@@]12CCc1ccccc12.
What is the InChIKey of (3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
The InChIKey is AGIDOLQWPDMMMW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H14F5N3O/c20-14(21)9-25-16-11-5-6-13(19(22,23)24)26-15(11)18(17(28)27-16)8-7-10-3-1-2-4-12(10)18/h1-6,14H,7-9H2,(H,25,27,28)/t18-/m0/s1.
What are the key properties of (3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
(3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one has a molecular weight of 395.33 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5'-(2,2-difluoroethylimino)-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one is sourced from PubChem (CID 170178209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).