2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one

C20H27N7O2 — CID 122339823

About 2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one

2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 122339823) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
• PubChem CID: 122339823
• Molecular Formula: C20H27N7O2
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.22
• IUPAC Name: 2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
• SMILES: Cc1cc(N2CCN(C(=O)Cn3ncccc3=O)CC2)nc(N2CCCCC2)n1
• InChI: InChI=1S/C20H27N7O2/c1-16-14-17(23-20(22-16)26-8-3-2-4-9-26)24-10-12-25(13-11-24)19(29)15-27-18(28)6-5-7-21-27/h5-7,14H,2-4,8-13,15H2,1H3
• InChIKey: TYIDMLCKOMVCRK-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 87.46 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?

The IUPAC name of 2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 122339823) is 2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.

What is the SMILES notation for 2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?

The canonical SMILES for 2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is Cc1cc(N2CCN(C(=O)Cn3ncccc3=O)CC2)nc(N2CCCCC2)n1.

What is the InChIKey of 2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?

The InChIKey is TYIDMLCKOMVCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O2/c1-16-14-17(23-20(22-16)26-8-3-2-4-9-26)24-10-12-25(13-11-24)19(29)15-27-18(28)6-5-7-21-27/h5-7,14H,2-4,8-13,15H2,1H3.

What are the key properties of 2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?

2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 397.48 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 122339823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).