1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea

C23H31FN6O2 — CID 46148727

About 1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea

1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea (PubChem CID 46148727) has the molecular formula C23H31FN6O2 and a molecular weight of 442.54 g/mol. Its IUPAC name is 1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea.

Molecular Properties

• Compound Name: 1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea
• PubChem CID: 46148727
• Molecular Formula: C23H31FN6O2
• Molecular Weight: 442.54 g/mol
• Exact Mass: 442.25
• IUPAC Name: 1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea
• SMILES: CC(C)NC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(C)C
• InChI: InChI=1S/C23H31FN6O2/c1-16(2)25-23(32)30(17(3)4)15-22(31)29-13-11-28(12-14-29)21-10-9-20(26-27-21)18-5-7-19(24)8-6-18/h5-10,16-17H,11-15H2,1-4H3,(H,25,32)
• InChIKey: UNYWEOLVHKSGFA-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 81.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.54
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea?

The IUPAC name of 1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea (CID 46148727) is 1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea.

What is the SMILES notation for 1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea?

The canonical SMILES for 1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea is CC(C)NC(=O)N(CC(=O)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(C)C.

What is the InChIKey of 1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea?

The InChIKey is UNYWEOLVHKSGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN6O2/c1-16(2)25-23(32)30(17(3)4)15-22(31)29-13-11-28(12-14-29)21-10-9-20(26-27-21)18-5-7-19(24)8-6-18/h5-10,16-17H,11-15H2,1-4H3,(H,25,32).

What are the key properties of 1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea?

1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea has a molecular weight of 442.54 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-1,3-di(propan-2-yl)urea is sourced from PubChem (CID 46148727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).