6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one

C22H19ClF3N5O2 — CID 121051706

About 6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one

6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 121051706) has the molecular formula C22H19ClF3N5O2 and a molecular weight of 477.87 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
• PubChem CID: 121051706
• Molecular Formula: C22H19ClF3N5O2
• Molecular Weight: 477.87 g/mol
• Exact Mass: 477.12
• IUPAC Name: 6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
• SMILES: O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
• InChI: InChI=1S/C22H19ClF3N5O2/c23-17-4-1-15(2-5-17)18-6-8-20(32)31(28-18)14-21(33)30-11-9-29(10-12-30)19-7-3-16(13-27-19)22(24,25)26/h1-8,13H,9-12,14H2
• InChIKey: LMMBELVBDDXRES-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 71.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.87
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?

The IUPAC name of 6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 121051706) is 6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one.

What is the SMILES notation for 6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?

The canonical SMILES for 6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one is O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.

What is the InChIKey of 6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?

The InChIKey is LMMBELVBDDXRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N5O2/c23-17-4-1-15(2-5-17)18-6-8-20(32)31(28-18)14-21(33)30-11-9-29(10-12-30)19-7-3-16(13-27-19)22(24,25)26/h1-8,13H,9-12,14H2.

What are the key properties of 6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one?

6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 477.87 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chlorophenyl)-2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 121051706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).