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

C26H28N6O3 — CID 58093683

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

8-[4-[1-(2-methoxyethyl)pyrrolidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one (PubChem CID 58093683) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 8-[4-[1-(2-methoxyethyl)pyrrolidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 8-[4-[1-(2-methoxyethyl)pyrrolidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
• PubChem CID: 58093683
• Molecular Formula: C26H28N6O3
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.22
• IUPAC Name: 8-[4-[1-(2-methoxyethyl)pyrrolidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
• SMILES: COCCN1CCC(c2ccc(Nc3nc(-c4cncc(OC)n4)cc4cc[nH]c(=O)c34)cc2)C1
• InChI: InChI=1S/C26H28N6O3/c1-34-12-11-32-10-8-19(16-32)17-3-5-20(6-4-17)29-25-24-18(7-9-28-26(24)33)13-21(31-25)22-14-27-15-23(30-22)35-2/h3-7,9,13-15,19H,8,10-12,16H2,1-2H3,(H,28,33)(H,29,31)
• InChIKey: IUBMVAJYGFEGJZ-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 105.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[4-[1-(2-methoxyethyl)pyrrolidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one?

The IUPAC name of 8-[4-[1-(2-methoxyethyl)pyrrolidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one (CID 58093683) is 8-[4-[1-(2-methoxyethyl)pyrrolidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one.

What is the SMILES notation for 8-[4-[1-(2-methoxyethyl)pyrrolidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one?

The canonical SMILES for 8-[4-[1-(2-methoxyethyl)pyrrolidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one is COCCN1CCC(c2ccc(Nc3nc(-c4cncc(OC)n4)cc4cc[nH]c(=O)c34)cc2)C1.

What is the InChIKey of 8-[4-[1-(2-methoxyethyl)pyrrolidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one?

The InChIKey is IUBMVAJYGFEGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-34-12-11-32-10-8-19(16-32)17-3-5-20(6-4-17)29-25-24-18(7-9-28-26(24)33)13-21(31-25)22-14-27-15-23(30-22)35-2/h3-7,9,13-15,19H,8,10-12,16H2,1-2H3,(H,28,33)(H,29,31).

What are the key properties of 8-[4-[1-(2-methoxyethyl)pyrrolidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one?

8-[4-[1-(2-methoxyethyl)pyrrolidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one has a molecular weight of 472.55 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[1-(2-methoxyethyl)pyrrolidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58093683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).