6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one

C20H14F3N5O3 — CID 58093851

IUPAC6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one
SMILESCOc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC(F)(F)F)cc3)n2)n1
InChIInChI=1S/C20H14F3N5O3/c1-30-16-10-24-9-15(27-16)14-8-11-6-7-25-19(29)17(11)18(28-14)26-12-2-4-13(5-3-12)31-20(21,22)23/h2-10H,1H3,(H,25,29)(H,26,28)
InChIKeyQEEVPVSTMBVKIO-UHFFFAOYSA-N
MW429.36 g/mol
LogP4.03
Rot. Bonds5

About 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one

6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 58093851) has the molecular formula C20H14F3N5O3 and a molecular weight of 429.36 g/mol. Its IUPAC name is 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one
PubChem CID58093851
Molecular FormulaC20H14F3N5O3
Molecular Weight429.36 g/mol
Exact Mass429.10
IUPAC Name6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one
SMILESCOc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC(F)(F)F)cc3)n2)n1
InChIInChI=1S/C20H14F3N5O3/c1-30-16-10-24-9-15(27-16)14-8-11-6-7-25-19(29)17(11)18(28-14)26-12-2-4-13(5-3-12)31-20(21,22)23/h2-10H,1H3,(H,25,29)(H,26,28)
InChIKeyQEEVPVSTMBVKIO-UHFFFAOYSA-N
XLogP4.03
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one (CID 58093851) is 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one is COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(OC(F)(F)F)cc3)n2)n1.
What is the InChIKey of 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is QEEVPVSTMBVKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O3/c1-30-16-10-24-9-15(27-16)14-8-11-6-7-25-19(29)17(11)18(28-14)26-12-2-4-13(5-3-12)31-20(21,22)23/h2-10H,1H3,(H,25,29)(H,26,28).
What are the key properties of 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?
6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 429.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxypyrazin-2-yl)-8-[4-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).