3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine

C23H28N6O — CID 166601889

About 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine

3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine (PubChem CID 166601889) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine.

Molecular Properties

• Compound Name: 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
• PubChem CID: 166601889
• Molecular Formula: C23H28N6O
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.23
• IUPAC Name: 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
• SMILES: Cc1cc(C)n(-c2ccc(N3CCN(CCc4ccc5c(c4)CCO5)CC3)nn2)n1
• InChI: InChI=1S/C23H28N6O/c1-17-15-18(2)29(26-17)23-6-5-22(24-25-23)28-12-10-27(11-13-28)9-7-19-3-4-21-20(16-19)8-14-30-21/h3-6,15-16H,7-14H2,1-2H3
• InChIKey: SRHJAFMNSVBJOV-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 59.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?

The IUPAC name of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine (CID 166601889) is 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine.

What is the SMILES notation for 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?

The canonical SMILES for 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine is Cc1cc(C)n(-c2ccc(N3CCN(CCc4ccc5c(c4)CCO5)CC3)nn2)n1.

What is the InChIKey of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?

The InChIKey is SRHJAFMNSVBJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-17-15-18(2)29(26-17)23-6-5-22(24-25-23)28-12-10-27(11-13-28)9-7-19-3-4-21-20(16-19)8-14-30-21/h3-6,15-16H,7-14H2,1-2H3.

What are the key properties of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine?

3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine has a molecular weight of 404.52 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 166601889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).