2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one

C23H24N8O2S — CID 121113962

About 2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one

2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 121113962) has the molecular formula C23H24N8O2S and a molecular weight of 476.57 g/mol. Its IUPAC name is 2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

• Compound Name: 2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
• PubChem CID: 121113962
• Molecular Formula: C23H24N8O2S
• Molecular Weight: 476.57 g/mol
• Exact Mass: 476.17
• IUPAC Name: 2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
• SMILES: Cc1nccn1-c1ccc(N2CCN(C(=O)C(C)n3nc(-c4cccs4)ccc3=O)CC2)nn1
• InChI: InChI=1S/C23H24N8O2S/c1-16(31-22(32)8-5-18(27-31)19-4-3-15-34-19)23(33)29-13-11-28(12-14-29)20-6-7-21(26-25-20)30-10-9-24-17(30)2/h3-10,15-16H,11-14H2,1-2H3
• InChIKey: VNDQGUJKRDMDRG-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 102.04 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.57
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one?

The IUPAC name of 2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one (CID 121113962) is 2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one.

What is the SMILES notation for 2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one?

The canonical SMILES for 2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one is Cc1nccn1-c1ccc(N2CCN(C(=O)C(C)n3nc(-c4cccs4)ccc3=O)CC2)nn1.

What is the InChIKey of 2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one?

The InChIKey is VNDQGUJKRDMDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2S/c1-16(31-22(32)8-5-18(27-31)19-4-3-15-34-19)23(33)29-13-11-28(12-14-29)20-6-7-21(26-25-20)30-10-9-24-17(30)2/h3-10,15-16H,11-14H2,1-2H3.

What are the key properties of 2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one?

2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 476.57 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 121113962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).