2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione

C25H18FN3O4S — CID 58318599

IUPAC2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1cc2ncc(F)cc2nc1-c1ccccc1S(C)(=O)=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H18FN3O4S/c1-14(29-24(30)16-7-3-4-8-17(16)25(29)31)19-12-20-21(11-15(26)13-27-20)28-23(19)18-9-5-6-10-22(18)34(2,32)33/h3-14H,1-2H3
InChIKeyGAIJYVDZSPWJKS-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.20
Rot. Bonds4

About 2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione

2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione (PubChem CID 58318599) has the molecular formula C25H18FN3O4S and a molecular weight of 475.50 g/mol. Its IUPAC name is 2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione
PubChem CID58318599
Molecular FormulaC25H18FN3O4S
Molecular Weight475.50 g/mol
Exact Mass475.10
IUPAC Name2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1cc2ncc(F)cc2nc1-c1ccccc1S(C)(=O)=O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H18FN3O4S/c1-14(29-24(30)16-7-3-4-8-17(16)25(29)31)19-12-20-21(11-15(26)13-27-20)28-23(19)18-9-5-6-10-22(18)34(2,32)33/h3-14H,1-2H3
InChIKeyGAIJYVDZSPWJKS-UHFFFAOYSA-N
XLogP4.20
TPSA97.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione (CID 58318599) is 2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione is CC(c1cc2ncc(F)cc2nc1-c1ccccc1S(C)(=O)=O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione?
The InChIKey is GAIJYVDZSPWJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O4S/c1-14(29-24(30)16-7-3-4-8-17(16)25(29)31)19-12-20-21(11-15(26)13-27-20)28-23(19)18-9-5-6-10-22(18)34(2,32)33/h3-14H,1-2H3.
What are the key properties of 2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione?
2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione has a molecular weight of 475.50 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 58318599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).