6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

C20H26N8O3 — CID 126916437

About 6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 126916437) has the molecular formula C20H26N8O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
• PubChem CID: 126916437
• Molecular Formula: C20H26N8O3
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.21
• IUPAC Name: 6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
• SMILES: Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(c4cc(=O)n(C)c(=O)[nH]4)CC3)n2)n1
• InChI: InChI=1S/C20H26N8O3/c1-14-12-15(2)28(22-14)16-4-5-18(29)27(23-16)11-8-25-6-9-26(10-7-25)17-13-19(30)24(3)20(31)21-17/h4-5,12-13H,6-11H2,1-3H3,(H,21,31)
• InChIKey: DAVZYPKRKDJLFS-UHFFFAOYSA-N
• XLogP: -0.74
• TPSA: 114.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	-0.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?

The IUPAC name of 6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (CID 126916437) is 6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?

The canonical SMILES for 6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(c4cc(=O)n(C)c(=O)[nH]4)CC3)n2)n1.

What is the InChIKey of 6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?

The InChIKey is DAVZYPKRKDJLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O3/c1-14-12-15(2)28(22-14)16-4-5-18(29)27(23-16)11-8-25-6-9-26(10-7-25)17-13-19(30)24(3)20(31)21-17/h4-5,12-13H,6-11H2,1-3H3,(H,21,31).

What are the key properties of 6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?

6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 426.48 g/mol, XLogP of -0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126916437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).