2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone

C26H29N7O — CID 148866426

About 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone

2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone (PubChem CID 148866426) has the molecular formula C26H29N7O and a molecular weight of 455.57 g/mol. Its IUPAC name is 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
• PubChem CID: 148866426
• Molecular Formula: C26H29N7O
• Molecular Weight: 455.57 g/mol
• Exact Mass: 455.24
• IUPAC Name: 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
• SMILES: CC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)cnc4cn3)ccn2)CC1
• InChI: InChI=1S/C26H29N7O/c1-18(2)32-6-8-33(9-7-32)26-12-19(4-5-28-26)25(34)13-22-11-20-10-21(14-30-23(20)15-29-22)24-16-27-17-31(24)3/h4-5,10-12,14-18H,6-9,13H2,1-3H3
• InChIKey: PAHVILSAZZEYFE-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 80.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.57
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone?

The IUPAC name of 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone (CID 148866426) is 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone.

What is the SMILES notation for 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone?

The canonical SMILES for 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone is CC(C)N1CCN(c2cc(C(=O)Cc3cc4cc(-c5cncn5C)cnc4cn3)ccn2)CC1.

What is the InChIKey of 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone?

The InChIKey is PAHVILSAZZEYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O/c1-18(2)32-6-8-33(9-7-32)26-12-19(4-5-28-26)25(34)13-22-11-20-10-21(14-30-23(20)15-29-22)24-16-27-17-31(24)3/h4-5,10-12,14-18H,6-9,13H2,1-3H3.

What are the key properties of 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone?

2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone has a molecular weight of 455.57 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone is sourced from PubChem (CID 148866426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).