6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one

C29H30N8O3 — CID 66888514

About 6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one

6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 66888514) has the molecular formula C29H30N8O3 and a molecular weight of 538.61 g/mol. Its IUPAC name is 6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one
• PubChem CID: 66888514
• Molecular Formula: C29H30N8O3
• Molecular Weight: 538.61 g/mol
• Exact Mass: 538.24
• IUPAC Name: 6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one
• SMILES: COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(-c4cnn(CCN5CCOCC5)c4)c(C)c3)n2)cn1
• InChI: InChI=1S/C29H30N8O3/c1-19-13-23(3-4-24(19)22-17-33-37(18-22)8-7-36-9-11-40-12-10-36)34-27-26-20(5-6-30-28(26)38)14-25(35-27)21-15-31-29(39-2)32-16-21/h3-6,13-18H,7-12H2,1-2H3,(H,30,38)(H,34,35)
• InChIKey: FGVQWEKTBODMER-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 123.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.61
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

The IUPAC name of 6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one (CID 66888514) is 6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one.

What is the SMILES notation for 6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

The canonical SMILES for 6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one is COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(-c4cnn(CCN5CCOCC5)c4)c(C)c3)n2)cn1.

What is the InChIKey of 6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

The InChIKey is FGVQWEKTBODMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O3/c1-19-13-23(3-4-24(19)22-17-33-37(18-22)8-7-36-9-11-40-12-10-36)34-27-26-20(5-6-30-28(26)38)14-25(35-27)21-15-31-29(39-2)32-16-21/h3-6,13-18H,7-12H2,1-2H3,(H,30,38)(H,34,35).

What are the key properties of 6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 538.61 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66888514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).