6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one

C25H25N5O3 — CID 58093719

IUPAC6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one
SMILESCOc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCOCC4)c(C)c3)n2)n1
InChIInChI=1S/C25H25N5O3/c1-15-11-18(3-4-19(15)16-6-9-33-10-7-16)28-24-23-17(5-8-27-25(23)31)12-20(30-24)21-13-26-14-22(29-21)32-2/h3-5,8,11-14,16H,6-7,9-10H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyPSJBOAXOFQUTFP-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.33
Rot. Bonds5

About 6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one

6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 58093719) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one
PubChem CID58093719
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one
SMILESCOc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCOCC4)c(C)c3)n2)n1
InChIInChI=1S/C25H25N5O3/c1-15-11-18(3-4-19(15)16-6-9-33-10-7-16)28-24-23-17(5-8-27-25(23)31)12-20(30-24)21-13-26-14-22(29-21)32-2/h3-5,8,11-14,16H,6-7,9-10H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyPSJBOAXOFQUTFP-UHFFFAOYSA-N
XLogP4.33
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.33
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-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one (CID 58093719) is 6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one is COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCOCC4)c(C)c3)n2)n1.
What is the InChIKey of 6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
The InChIKey is PSJBOAXOFQUTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-15-11-18(3-4-19(15)16-6-9-33-10-7-16)28-24-23-17(5-8-27-25(23)31)12-20(30-24)21-13-26-14-22(29-21)32-2/h3-5,8,11-14,16H,6-7,9-10H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one?
6-(6-methoxypyrazin-2-yl)-8-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 443.51 g/mol, XLogP of 4.33, 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-[3-methyl-4-(oxan-4-yl)anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).