6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one

C23H24FN5O2 — CID 53081698

IUPAC6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
SMILESCN(C)c1cccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c1
InChIInChI=1S/C23H24FN5O2/c1-26(2)20-5-3-4-17(16-20)23(31)28-14-12-27(13-15-28)21-10-11-22(30)29(25-21)19-8-6-18(24)7-9-19/h3-11,16H,12-15H2,1-2H3
InChIKeyWGTGRCXWINAZIC-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.40
Rot. Bonds4

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

6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one (PubChem CID 53081698) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
PubChem CID53081698
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
SMILESCN(C)c1cccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c1
InChIInChI=1S/C23H24FN5O2/c1-26(2)20-5-3-4-17(16-20)23(31)28-14-12-27(13-15-28)21-10-11-22(30)29(25-21)19-8-6-18(24)7-9-19/h3-11,16H,12-15H2,1-2H3
InChIKeyWGTGRCXWINAZIC-UHFFFAOYSA-N
XLogP2.40
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081733
6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one
CID 53081727
6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081831
6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one
CID 53081896
2-(3,4-dimethylphenyl)-6-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081364
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081736
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53081989
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
6-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpyridazin-3-one
CID 53081404
6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081832
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 122279371
[3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 121083155

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one (CID 53081698) is 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one is CN(C)c1cccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c1.
What is the InChIKey of 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is WGTGRCXWINAZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-26(2)20-5-3-4-17(16-20)23(31)28-14-12-27(13-15-28)21-10-11-22(30)29(25-21)19-8-6-18(24)7-9-19/h3-11,16H,12-15H2,1-2H3.
What are the key properties of 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one?
6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 421.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 53081698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).