[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone

C20H23N7O2 — CID 122339313

About [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone

[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 122339313) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

• Compound Name: [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
• PubChem CID: 122339313
• Molecular Formula: C20H23N7O2
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.19
• IUPAC Name: [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
• SMILES: COc1ncccc1C(=O)N1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1
• InChI: InChI=1S/C20H23N7O2/c1-14-13-15(2)27(24-14)18-7-6-17(22-23-18)25-9-11-26(12-10-25)20(28)16-5-4-8-21-19(16)29-3/h4-8,13H,9-12H2,1-3H3
• InChIKey: QPGLWEJSGSLQJH-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 89.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?

The IUPAC name of [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 122339313) is [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

What is the SMILES notation for [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?

The canonical SMILES for [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CCN(c2ccc(-n3nc(C)cc3C)nn2)CC1.

What is the InChIKey of [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?

The InChIKey is QPGLWEJSGSLQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-14-13-15(2)27(24-14)18-7-6-17(22-23-18)25-9-11-26(12-10-25)20(28)16-5-4-8-21-19(16)29-3/h4-8,13H,9-12H2,1-3H3.

What are the key properties of [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?

[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 393.45 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 122339313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).