2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one

C22H19F3N4O2 — CID 53081858

IUPAC2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)18-9-5-4-8-17(18)21(31)28-14-12-27(13-15-28)19-10-11-20(30)29(26-19)16-6-2-1-3-7-16/h1-11H,12-15H2
InChIKeyYPYKTMKMWPYGOI-UHFFFAOYSA-N
MW428.41 g/mol
LogP3.21
Rot. Bonds3

About 2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one

2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 53081858) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one
PubChem CID53081858
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)18-9-5-4-8-17(18)21(31)28-14-12-27(13-15-28)19-10-11-20(30)29(26-19)16-6-2-1-3-7-16/h1-11H,12-15H2
InChIKeyYPYKTMKMWPYGOI-UHFFFAOYSA-N
XLogP3.21
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpyridazin-3-one
CID 53081404
6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one
CID 53081727
6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081832
6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081825
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 141143818
6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081831
[4-[5-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 71083396
[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 30774042
2-methoxy-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 68740181
6-[4-(2-bromobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 53081681
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121053728

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one (CID 53081858) is 2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one is O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(=O)n(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is YPYKTMKMWPYGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c23-22(24,25)18-9-5-4-8-17(18)21(31)28-14-12-27(13-15-28)19-10-11-20(30)29(26-19)16-6-2-1-3-7-16/h1-11H,12-15H2.
What are the key properties of 2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one?
2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 428.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 53081858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).