1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone

C24H25N7O — CID 147043069

About 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone

1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone (PubChem CID 147043069) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
• PubChem CID: 147043069
• Molecular Formula: C24H25N7O
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.21
• IUPAC Name: 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
• SMILES: CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4nn3)cn2)CC1
• InChI: InChI=1S/C24H25N7O/c1-29-7-9-31(10-8-29)24-6-4-18(14-25-24)23(32)13-21-12-19-11-17(3-5-22(19)28-27-21)20-15-26-30(2)16-20/h3-6,11-12,14-16H,7-10,13H2,1-2H3
• InChIKey: AZVGFJFNCVXIFX-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 80.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?

The IUPAC name of 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone (CID 147043069) is 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone.

What is the SMILES notation for 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?

The canonical SMILES for 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone is CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4nn3)cn2)CC1.

What is the InChIKey of 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?

The InChIKey is AZVGFJFNCVXIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-29-7-9-31(10-8-29)24-6-4-18(14-25-24)23(32)13-21-12-19-11-17(3-5-22(19)28-27-21)20-15-26-30(2)16-20/h3-6,11-12,14-16H,7-10,13H2,1-2H3.

What are the key properties of 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?

1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone has a molecular weight of 427.51 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone is sourced from PubChem (CID 147043069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).