3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one

C20H29FN4O — CID 91012355

IUPAC3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one
SMILESCc1cc(C2=NN(CC(C)C)C(=O)C(C)(N3CCNCC3)C2)ccc1F
InChIInChI=1S/C20H29FN4O/c1-14(2)13-25-19(26)20(4,24-9-7-22-8-10-24)12-18(23-25)16-5-6-17(21)15(3)11-16/h5-6,11,14,22H,7-10,12-13H2,1-4H3
InChIKeyORPGHEDJTBMVEE-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.39
Rot. Bonds4

About 3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one

3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one (PubChem CID 91012355) has the molecular formula C20H29FN4O and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one
PubChem CID91012355
Molecular FormulaC20H29FN4O
Molecular Weight360.48 g/mol
Exact Mass360.23
IUPAC Name3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one
SMILESCc1cc(C2=NN(CC(C)C)C(=O)C(C)(N3CCNCC3)C2)ccc1F
InChIInChI=1S/C20H29FN4O/c1-14(2)13-25-19(26)20(4,24-9-7-22-8-10-24)12-18(23-25)16-5-6-17(21)15(3)11-16/h5-6,11,14,22H,7-10,12-13H2,1-4H3
InChIKeyORPGHEDJTBMVEE-UHFFFAOYSA-N
XLogP2.39
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluoro-3-methylphenyl)-4-methyl-2-(2-methylpropyl)-4-piperidin-1-yl-1H-pyridazin-3-one;hydrochloride
CID 67213599
ethyl 2-[3-(4-fluoro-3-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetate
CID 118871578
1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
CID 171310881
2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82291713
1-[1-(3,4-difluorophenyl)-3-methylbutyl]piperazine
CID 82305169
1-[2-(4-fluoro-3-methylphenyl)sulfanylpropyl]piperazine
CID 117035708
1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride
CID 154914779
1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 171169540
4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine
CID 96668438
2-(4-fluoro-3-methylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82304187
1-[1-(4-fluoro-3-methylphenyl)-3-methylbutan-2-yl]piperazine
CID 82486399

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one (CID 91012355) is 3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one is Cc1cc(C2=NN(CC(C)C)C(=O)C(C)(N3CCNCC3)C2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one?
The InChIKey is ORPGHEDJTBMVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O/c1-14(2)13-25-19(26)20(4,24-9-7-22-8-10-24)12-18(23-25)16-5-6-17(21)15(3)11-16/h5-6,11,14,22H,7-10,12-13H2,1-4H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one?
3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one has a molecular weight of 360.48 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one is sourced from PubChem (CID 91012355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).