[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone

C25H27N7O4 — CID 121163157

About [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone

[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone (PubChem CID 121163157) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
• PubChem CID: 121163157
• Molecular Formula: C25H27N7O4
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.21
• IUPAC Name: [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
• SMILES: COc1ccc(OC)c(-c2cc(C(=O)N3CCC(Oc4ccc(-n5cccn5)nn4)CC3)n(C)n2)c1
• InChI: InChI=1S/C25H27N7O4/c1-30-21(16-20(29-30)19-15-18(34-2)5-6-22(19)35-3)25(33)31-13-9-17(10-14-31)36-24-8-7-23(27-28-24)32-12-4-11-26-32/h4-8,11-12,15-17H,9-10,13-14H2,1-3H3
• InChIKey: LNGYXSAYNCNTFT-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 109.42 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone?

The IUPAC name of [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone (CID 121163157) is [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone.

What is the SMILES notation for [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone?

The canonical SMILES for [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone is COc1ccc(OC)c(-c2cc(C(=O)N3CCC(Oc4ccc(-n5cccn5)nn4)CC3)n(C)n2)c1.

What is the InChIKey of [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone?

The InChIKey is LNGYXSAYNCNTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4/c1-30-21(16-20(29-30)19-15-18(34-2)5-6-22(19)35-3)25(33)31-13-9-17(10-14-31)36-24-8-7-23(27-28-24)32-12-4-11-26-32/h4-8,11-12,15-17H,9-10,13-14H2,1-3H3.

What are the key properties of [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone?

[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone has a molecular weight of 489.54 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 121163157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).