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

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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).