[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

C24H26N8O2 — CID 122345960

About [3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone

[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122345960) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
• PubChem CID: 122345960
• Molecular Formula: C24H26N8O2
• Molecular Weight: 458.53 g/mol
• Exact Mass: 458.22
• IUPAC Name: [3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
• SMILES: COc1cccc(-c2cc(C(=O)N3CCN(c4ccc(-n5ccc(C)n5)nn4)CC3)n(C)n2)c1
• InChI: InChI=1S/C24H26N8O2/c1-17-9-10-32(27-17)23-8-7-22(25-26-23)30-11-13-31(14-12-30)24(33)21-16-20(28-29(21)2)18-5-4-6-19(15-18)34-3/h4-10,15-16H,11-14H2,1-3H3
• InChIKey: FROQRRFYQDJVMX-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 94.20 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.53
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?

The IUPAC name of [3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122345960) is [3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone.

What is the SMILES notation for [3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?

The canonical SMILES for [3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is COc1cccc(-c2cc(C(=O)N3CCN(c4ccc(-n5ccc(C)n5)nn4)CC3)n(C)n2)c1.

What is the InChIKey of [3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?

The InChIKey is FROQRRFYQDJVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-17-9-10-32(27-17)23-8-7-22(25-26-23)30-11-13-31(14-12-30)24(33)21-16-20(28-29(21)2)18-5-4-6-19(15-18)34-3/h4-10,15-16H,11-14H2,1-3H3.

What are the key properties of [3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone?

[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 458.53 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122345960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).