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

C18H14F3N3O — CID 170178503

IUPAC5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
SMILESC/N=C1\NC(=O)C2(CCc3ccccc32)c2nc(C(F)(F)F)ccc21
InChIInChI=1S/C18H14F3N3O/c1-22-15-11-6-7-13(18(19,20)21)23-14(11)17(16(25)24-15)9-8-10-4-2-3-5-12(10)17/h2-7H,8-9H2,1H3,(H,22,24,25)
InChIKeyMUYPSFZAYLARDO-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.84
Rot. Bonds

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

5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one (PubChem CID 170178503) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one.

Molecular Properties

Compound Name5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
PubChem CID170178503
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one
SMILESC/N=C1\NC(=O)C2(CCc3ccccc32)c2nc(C(F)(F)F)ccc21
InChIInChI=1S/C18H14F3N3O/c1-22-15-11-6-7-13(18(19,20)21)23-14(11)17(16(25)24-15)9-8-10-4-2-3-5-12(10)17/h2-7H,8-9H2,1H3,(H,22,24,25)
InChIKeyMUYPSFZAYLARDO-UHFFFAOYSA-N
XLogP2.84
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
The IUPAC name of 5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one (CID 170178503) is 5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one.
What is the SMILES notation for 5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
The canonical SMILES for 5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one is C/N=C1\NC(=O)C2(CCc3ccccc32)c2nc(C(F)(F)F)ccc21.
What is the InChIKey of 5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
The InChIKey is MUYPSFZAYLARDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c1-22-15-11-6-7-13(18(19,20)21)23-14(11)17(16(25)24-15)9-8-10-4-2-3-5-12(10)17/h2-7H,8-9H2,1H3,(H,22,24,25).
What are the key properties of 5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one?
5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one has a molecular weight of 345.32 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-methylimino-2'-(trifluoromethyl)spiro[1,2-dihydroindene-3,8'-1,6-naphthyridine]-7'-one is sourced from PubChem (CID 170178503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).