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

C24H24N6O3 — CID 58167136

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

8-[4-[1-(2-hydroxyethyl)azetidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one (PubChem CID 58167136) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 8-[4-[1-(2-hydroxyethyl)azetidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 8-[4-[1-(2-hydroxyethyl)azetidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
• PubChem CID: 58167136
• Molecular Formula: C24H24N6O3
• Molecular Weight: 444.50 g/mol
• Exact Mass: 444.19
• IUPAC Name: 8-[4-[1-(2-hydroxyethyl)azetidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one
• SMILES: COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CN(CCO)C4)cc3)n2)n1
• InChI: InChI=1S/C24H24N6O3/c1-33-21-12-25-11-20(28-21)19-10-16-6-7-26-24(32)22(16)23(29-19)27-18-4-2-15(3-5-18)17-13-30(14-17)8-9-31/h2-7,10-12,17,31H,8-9,13-14H2,1H3,(H,26,32)(H,27,29)
• InChIKey: VIKBFCFCRUUWLC-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 116.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.50
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 8-[4-[1-(2-hydroxyethyl)azetidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one (CID 58167136) is 8-[4-[1-(2-hydroxyethyl)azetidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one.

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

The canonical SMILES for 8-[4-[1-(2-hydroxyethyl)azetidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one is COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CN(CCO)C4)cc3)n2)n1.

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

The InChIKey is VIKBFCFCRUUWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-33-21-12-25-11-20(28-21)19-10-16-6-7-26-24(32)22(16)23(29-19)27-18-4-2-15(3-5-18)17-13-30(14-17)8-9-31/h2-7,10-12,17,31H,8-9,13-14H2,1H3,(H,26,32)(H,27,29).

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

8-[4-[1-(2-hydroxyethyl)azetidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one has a molecular weight of 444.50 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[1-(2-hydroxyethyl)azetidin-3-yl]anilino]-6-(6-methoxypyrazin-2-yl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58167136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).