6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one

C26H18FN3O2 — CID 122196397

IUPAC6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCc3ccc4ncccc4n3)cc2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C26H18FN3O2/c27-19-7-3-18(4-8-19)26-22(12-14-25(31)30-26)17-5-10-21(11-6-17)32-16-20-9-13-23-24(29-20)2-1-15-28-23/h1-15H,16H2,(H,30,31)
InChIKeyGFIFCPUFIMMIKP-UHFFFAOYSA-N
MW423.45 g/mol
LogP5.37
Rot. Bonds5

About 6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one

6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one (PubChem CID 122196397) has the molecular formula C26H18FN3O2 and a molecular weight of 423.45 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
PubChem CID122196397
Molecular FormulaC26H18FN3O2
Molecular Weight423.45 g/mol
Exact Mass423.14
IUPAC Name6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCc3ccc4ncccc4n3)cc2)c(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C26H18FN3O2/c27-19-7-3-18(4-8-19)26-22(12-14-25(31)30-26)17-5-10-21(11-6-17)32-16-20-9-13-23-24(29-20)2-1-15-28-23/h1-15H,16H2,(H,30,31)
InChIKeyGFIFCPUFIMMIKP-UHFFFAOYSA-N
XLogP5.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.45
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one (CID 122196397) is 6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one is O=c1ccc(-c2ccc(OCc3ccc4ncccc4n3)cc2)c(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
The InChIKey is GFIFCPUFIMMIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3O2/c27-19-7-3-18(4-8-19)26-22(12-14-25(31)30-26)17-5-10-21(11-6-17)32-16-20-9-13-23-24(29-20)2-1-15-28-23/h1-15H,16H2,(H,30,31).
What are the key properties of 6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one has a molecular weight of 423.45 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-[4-(1,5-naphthyridin-2-ylmethoxy)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 122196397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).