3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide

C25H27N7O — CID 138587575

About 3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide

3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide (PubChem CID 138587575) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: 3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide
• PubChem CID: 138587575
• Molecular Formula: C25H27N7O
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.23
• IUPAC Name: 3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide
• SMILES: CN1CCN(Cc2cccc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ncc4cn3)c2)CC1
• InChI: InChI=1S/C25H27N7O/c1-30-6-8-32(9-7-30)16-18-4-3-5-19(10-18)25(33)29-24-12-20-11-23(22-15-28-31(2)17-22)26-13-21(20)14-27-24/h3-5,10-15,17H,6-9,16H2,1-2H3,(H,27,29,33)
• InChIKey: AKCCRYILRPERFP-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide?

The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide (CID 138587575) is 3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide.

What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide?

The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide is CN1CCN(Cc2cccc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ncc4cn3)c2)CC1.

What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide?

The InChIKey is AKCCRYILRPERFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-30-6-8-32(9-7-30)16-18-4-3-5-19(10-18)25(33)29-24-12-20-11-23(22-15-28-31(2)17-22)26-13-21(20)14-27-24/h3-5,10-15,17H,6-9,16H2,1-2H3,(H,27,29,33).

What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide?

3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide has a molecular weight of 441.54 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]benzamide is sourced from PubChem (CID 138587575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).