1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea

C23H30Cl2N6O3 — CID 46148287

About 1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea

1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea (PubChem CID 46148287) has the molecular formula C23H30Cl2N6O3 and a molecular weight of 509.44 g/mol. Its IUPAC name is 1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea.

Molecular Properties

• Compound Name: 1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea
• PubChem CID: 46148287
• Molecular Formula: C23H30Cl2N6O3
• Molecular Weight: 509.44 g/mol
• Exact Mass: 508.18
• IUPAC Name: 1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea
• SMILES: COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1)C(=O)NC(C)C
• InChI: InChI=1S/C23H30Cl2N6O3/c1-16(2)26-23(33)31(12-13-34-3)15-22(32)30-10-8-29(9-11-30)21-7-6-20(27-28-21)18-5-4-17(24)14-19(18)25/h4-7,14,16H,8-13,15H2,1-3H3,(H,26,33)
• InChIKey: OSJXUSBEPWQRAL-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 90.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.44
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea?

The IUPAC name of 1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea (CID 46148287) is 1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea.

What is the SMILES notation for 1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea?

The canonical SMILES for 1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea is COCCN(CC(=O)N1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1)C(=O)NC(C)C.

What is the InChIKey of 1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea?

The InChIKey is OSJXUSBEPWQRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N6O3/c1-16(2)26-23(33)31(12-13-34-3)15-22(32)30-10-8-29(9-11-30)21-7-6-20(27-28-21)18-5-4-17(24)14-19(18)25/h4-7,14,16H,8-13,15H2,1-3H3,(H,26,33).

What are the key properties of 1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea?

1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea has a molecular weight of 509.44 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-propan-2-ylurea is sourced from PubChem (CID 46148287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).