2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile

C22H15FN4O — CID 163664051

IUPAC2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile
SMILESC=C1C=Cc2cc(-c3ccnc(OC)c3)c(-c3ccc(F)c(C#N)c3)nc2N1
InChIInChI=1S/C22H15FN4O/c1-13-3-4-16-10-18(14-7-8-25-20(11-14)28-2)21(27-22(16)26-13)15-5-6-19(23)17(9-15)12-24/h3-11H,1H2,2H3,(H,26,27)
InChIKeyRAHGBHMLMPUEGT-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.78
Rot. Bonds3

About 2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile

2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile (PubChem CID 163664051) has the molecular formula C22H15FN4O and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile
PubChem CID163664051
Molecular FormulaC22H15FN4O
Molecular Weight370.39 g/mol
Exact Mass370.12
IUPAC Name2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile
SMILESC=C1C=Cc2cc(-c3ccnc(OC)c3)c(-c3ccc(F)c(C#N)c3)nc2N1
InChIInChI=1S/C22H15FN4O/c1-13-3-4-16-10-18(14-7-8-25-20(11-14)28-2)21(27-22(16)26-13)15-5-6-19(23)17(9-15)12-24/h3-11H,1H2,2H3,(H,26,27)
InChIKeyRAHGBHMLMPUEGT-UHFFFAOYSA-N
XLogP4.78
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile with MolForge

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Related Compounds

5-[3-[2-(dimethylamino)-6-methyl-4-pyridinyl]-7-methylidene-8H-1,8-naphthyridin-2-yl]-2-fluorobenzonitrile
CID 163475155
3-(3-imidazo[1,2-a]pyridin-6-yl-7-methylidene-8H-1,8-naphthyridin-2-yl)-2-methylbenzonitrile
CID 163795945
2-fluoro-5-(2-methoxyquinolin-3-yl)benzonitrile
CID 155910711
2-fluoro-5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzonitrile
CID 107880215
2-fluoro-5-(4-methylphenyl)benzonitrile
CID 164513731
5-(2-chloropyrimidin-4-yl)-2-fluorobenzonitrile
CID 24901883
5-(5-amino-1,2-dimethylimidazol-4-yl)-2-fluorobenzonitrile
CID 107936587
5-[3-(ethylamino)pyrazin-2-yl]-2-fluorobenzonitrile
CID 114018085
3-cyano-4-fluoro-N-[(4S)-2-(2-methoxy-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]benzamide
CID 177050054
5-(2-amino-3-ethynyl-4-pyridinyl)-2-fluorobenzonitrile
CID 170352402
3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile
CID 167011867
6-(2-methoxy-4-pyridinyl)-7H-purin-2-amine
CID 114052406

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile?
The IUPAC name of 2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile (CID 163664051) is 2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile is C=C1C=Cc2cc(-c3ccnc(OC)c3)c(-c3ccc(F)c(C#N)c3)nc2N1.
What is the InChIKey of 2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile?
The InChIKey is RAHGBHMLMPUEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O/c1-13-3-4-16-10-18(14-7-8-25-20(11-14)28-2)21(27-22(16)26-13)15-5-6-19(23)17(9-15)12-24/h3-11H,1H2,2H3,(H,26,27).
What are the key properties of 2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile?
2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile has a molecular weight of 370.39 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-7-methylidene-8H-1,8-naphthyridin-2-yl]benzonitrile is sourced from PubChem (CID 163664051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).