4-chloro-5-[[5-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methoxy]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one

C25H36Cl2N6O5Si — CID 153446808

About 4-chloro-5-[[5-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methoxy]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one

4-chloro-5-[[5-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methoxy]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one (PubChem CID 153446808) has the molecular formula C25H36Cl2N6O5Si and a molecular weight of 599.59 g/mol. Its IUPAC name is 4-chloro-5-[[5-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methoxy]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one.

Molecular Properties

• Compound Name: 4-chloro-5-[[5-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methoxy]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
• PubChem CID: 153446808
• Molecular Formula: C25H36Cl2N6O5Si
• Molecular Weight: 599.59 g/mol
• Exact Mass: 598.19
• IUPAC Name: 4-chloro-5-[[5-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methoxy]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
• SMILES: C[Si](C)(C)CCOCn1ncc(OCC2CCC(CC(=O)N3CCN(c4ncc(Cl)cn4)CC3)O2)c(Cl)c1=O
• InChI: InChI=1S/C25H36Cl2N6O5Si/c1-39(2,3)11-10-36-17-33-24(35)23(27)21(15-30-33)37-16-20-5-4-19(38-20)12-22(34)31-6-8-32(9-7-31)25-28-13-18(26)14-29-25/h13-15,19-20H,4-12,16-17H2,1-3H3
• InChIKey: IDYVVMFLDMZXNO-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 111.91 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.59
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[5-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methoxy]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?

The IUPAC name of 4-chloro-5-[[5-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methoxy]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one (CID 153446808) is 4-chloro-5-[[5-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methoxy]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one.

What is the SMILES notation for 4-chloro-5-[[5-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methoxy]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?

The canonical SMILES for 4-chloro-5-[[5-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methoxy]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one is C[Si](C)(C)CCOCn1ncc(OCC2CCC(CC(=O)N3CCN(c4ncc(Cl)cn4)CC3)O2)c(Cl)c1=O.

What is the InChIKey of 4-chloro-5-[[5-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methoxy]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?

The InChIKey is IDYVVMFLDMZXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36Cl2N6O5Si/c1-39(2,3)11-10-36-17-33-24(35)23(27)21(15-30-33)37-16-20-5-4-19(38-20)12-22(34)31-6-8-32(9-7-31)25-28-13-18(26)14-29-25/h13-15,19-20H,4-12,16-17H2,1-3H3.

What are the key properties of 4-chloro-5-[[5-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methoxy]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?

4-chloro-5-[[5-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methoxy]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one has a molecular weight of 599.59 g/mol, XLogP of 3.32, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-[[5-[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]oxolan-2-yl]methoxy]-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one is sourced from PubChem (CID 153446808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).