6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one

C22H25FN6O2 — CID 50789133

IUPAC6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
SMILESCc1cc(C)n(CCC(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)n1
InChIInChI=1S/C22H25FN6O2/c1-16-15-17(2)28(24-16)10-9-21(30)27-13-11-26(12-14-27)20-7-8-22(31)29(25-20)19-5-3-18(23)4-6-19/h3-8,15H,9-14H2,1-2H3
InChIKeyWOJLQGDMMOELLF-UHFFFAOYSA-N
MW424.48 g/mol
LogP1.92
Rot. Bonds5

About 6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one

6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one (PubChem CID 50789133) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
PubChem CID50789133
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
SMILESCc1cc(C)n(CCC(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)n1
InChIInChI=1S/C22H25FN6O2/c1-16-15-17(2)28(24-16)10-9-21(30)27-13-11-26(12-14-27)20-7-8-22(31)29(25-20)19-5-3-18(23)4-6-19/h3-8,15H,9-14H2,1-2H3
InChIKeyWOJLQGDMMOELLF-UHFFFAOYSA-N
XLogP1.92
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 20934609
6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one
CID 53081727
6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081939
6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53081997
6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-1,4-diazepan-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 50825606
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 91960231
6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
CID 53081698
2-(3,4-dimethylphenyl)-6-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081364
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 54878873
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 56699956
2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one
CID 53081890
3-(3,5-dimethylpyrazol-1-yl)-1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759339

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one (CID 50789133) is 6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one is Cc1cc(C)n(CCC(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)n1.
What is the InChIKey of 6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is WOJLQGDMMOELLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-16-15-17(2)28(24-16)10-9-21(30)27-13-11-26(12-14-27)20-7-8-22(31)29(25-20)19-5-3-18(23)4-6-19/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one?
6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 424.48 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 50789133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).