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

C19H26F2N4O — CID 91058853

IUPAC3-(2,4-difluorophenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one
SMILESCC(C)CN1N=C(c2ccc(F)cc2F)CC(C)(N2CCNCC2)C1=O
InChIInChI=1S/C19H26F2N4O/c1-13(2)12-25-18(26)19(3,24-8-6-22-7-9-24)11-17(23-25)15-5-4-14(20)10-16(15)21/h4-5,10,13,22H,6-9,11-12H2,1-3H3
InChIKeyAFGZQDGSDSBVFE-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.22
Rot. Bonds4

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

3-(2,4-difluorophenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one (PubChem CID 91058853) has the molecular formula C19H26F2N4O and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one
PubChem CID91058853
Molecular FormulaC19H26F2N4O
Molecular Weight364.44 g/mol
Exact Mass364.21
IUPAC Name3-(2,4-difluorophenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one
SMILESCC(C)CN1N=C(c2ccc(F)cc2F)CC(C)(N2CCNCC2)C1=O
InChIInChI=1S/C19H26F2N4O/c1-13(2)12-25-18(26)19(3,24-8-6-22-7-9-24)11-17(23-25)15-5-4-14(20)10-16(15)21/h4-5,10,13,22H,6-9,11-12H2,1-3H3
InChIKeyAFGZQDGSDSBVFE-UHFFFAOYSA-N
XLogP2.22
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluoro-3-(4-(2-methyl-2-(methylamino)propanoyl)piperazine-1-carbonyl)benzyl)-4,5-dimethylpyridazin-3(2H)-one
CID 24822105
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3244753
2,2-Diphenyl-N-({N'-[(1E)-1-phenylethylidene]hydrazinecarbonyl}methyl)acetamide
CID 5339599
N-[2-(diisobutylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 16034265
2-(8-(4-isopropylcyclohexyl)-1-oxo-4-phenyl-2,3,8-triazaspiro[4.5]dec-3-en-2-yl)-N-methylacetamide
CID 46879537
2-(8-cyclodecyl-1-oxo-4-phenyl-2,3,8-triazaspiro[4.5]dec-3-en-2-yl)-N-methylacetamide
CID 46879579
2-(8-cycloheptyl-1-oxo-4-phenyl-2,3,8-triazaspiro[4.5]dec-3-en-2-yl)-N-methylacetamide
CID 46879628
2-(8-(4-tert-butylcyclohexyl)-1-oxo-4-phenyl-2,3,8-triazaspiro[4.5]dec-3-en-2-yl)-N-methylacetamide
CID 46879667
N-allyl-2-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 15995472
N-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 16003183
N-heptyl-2-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 20968344
N-[2-(dimethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 20968349

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one?
The IUPAC name of 3-(2,4-difluorophenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one (CID 91058853) is 3-(2,4-difluorophenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one?
The canonical SMILES for 3-(2,4-difluorophenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one is CC(C)CN1N=C(c2ccc(F)cc2F)CC(C)(N2CCNCC2)C1=O.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one?
The InChIKey is AFGZQDGSDSBVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N4O/c1-13(2)12-25-18(26)19(3,24-8-6-22-7-9-24)11-17(23-25)15-5-4-14(20)10-16(15)21/h4-5,10,13,22H,6-9,11-12H2,1-3H3.
What are the key properties of 3-(2,4-difluorophenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one?
3-(2,4-difluorophenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one has a molecular weight of 364.44 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-5-methyl-1-(2-methylpropyl)-5-piperazin-1-yl-4H-pyridazin-6-one is sourced from PubChem (CID 91058853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).