1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone

C26H27N5O2 — CID 158347422

About 1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone

1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone (PubChem CID 158347422) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
• PubChem CID: 158347422
• Molecular Formula: C26H27N5O2
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.22
• IUPAC Name: 1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
• SMILES: CN1CCC(Oc2cccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)cnc4cn3)c2)CC1
• InChI: InChI=1S/C26H27N5O2/c1-30-8-6-23(7-9-30)33-24-5-3-4-18(12-24)26(32)13-22-11-19-10-20(14-28-25(19)16-27-22)21-15-29-31(2)17-21/h3-5,10-12,14-17,23H,6-9,13H2,1-2H3
• InChIKey: GRXCOCITGJOPDQ-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 73.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?

The IUPAC name of 1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone (CID 158347422) is 1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone.

What is the SMILES notation for 1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?

The canonical SMILES for 1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone is CN1CCC(Oc2cccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)cnc4cn3)c2)CC1.

What is the InChIKey of 1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?

The InChIKey is GRXCOCITGJOPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-30-8-6-23(7-9-30)33-24-5-3-4-18(12-24)26(32)13-22-11-19-10-20(14-28-25(19)16-27-22)21-15-29-31(2)17-21/h3-5,10-12,14-17,23H,6-9,13H2,1-2H3.

What are the key properties of 1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone?

1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 441.54 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1-methylpiperidin-4-yl)oxyphenyl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 158347422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).