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

C24H28N6O3 — CID 121060198

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

3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 121060198) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

• Compound Name: 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-propan-2-ylpyrimidin-4-one
• PubChem CID: 121060198
• Molecular Formula: C24H28N6O3
• Molecular Weight: 448.53 g/mol
• Exact Mass: 448.22
• IUPAC Name: 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-propan-2-ylpyrimidin-4-one
• SMILES: COc1ccc(-c2ccc(N3CCN(C(=O)Cn4cnc(C(C)C)cc4=O)CC3)nn2)cc1
• InChI: InChI=1S/C24H28N6O3/c1-17(2)21-14-23(31)30(16-25-21)15-24(32)29-12-10-28(11-13-29)22-9-8-20(26-27-22)18-4-6-19(33-3)7-5-18/h4-9,14,16-17H,10-13,15H2,1-3H3
• InChIKey: JSVHMTWXZJPYAT-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 93.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.53
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-propan-2-ylpyrimidin-4-one (CID 121060198) is 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-propan-2-ylpyrimidin-4-one.

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

The canonical SMILES for 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-propan-2-ylpyrimidin-4-one is COc1ccc(-c2ccc(N3CCN(C(=O)Cn4cnc(C(C)C)cc4=O)CC3)nn2)cc1.

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

The InChIKey is JSVHMTWXZJPYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-17(2)21-14-23(31)30(16-25-21)15-24(32)29-12-10-28(11-13-29)22-9-8-20(26-27-22)18-4-6-19(33-3)7-5-18/h4-9,14,16-17H,10-13,15H2,1-3H3.

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

3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 448.53 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 121060198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).