6-(2,4-difluorophenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one

C19H24F2N4O — CID 67213572

IUPAC6-(2,4-difluorophenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one
SMILESCc1c(-c2ccc(F)cc2F)nn(CC(C)C)c(=O)c1N1CCNCC1
InChIInChI=1S/C19H24F2N4O/c1-12(2)11-25-19(26)18(24-8-6-22-7-9-24)13(3)17(23-25)15-5-4-14(20)10-16(15)21/h4-5,10,12,22H,6-9,11H2,1-3H3
InChIKeyXHQWFMWGAFSVJT-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.56
Rot. Bonds4

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

6-(2,4-difluorophenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one (PubChem CID 67213572) has the molecular formula C19H24F2N4O and a molecular weight of 362.42 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one
PubChem CID67213572
Molecular FormulaC19H24F2N4O
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC Name6-(2,4-difluorophenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one
SMILESCc1c(-c2ccc(F)cc2F)nn(CC(C)C)c(=O)c1N1CCNCC1
InChIInChI=1S/C19H24F2N4O/c1-12(2)11-25-19(26)18(24-8-6-22-7-9-24)13(3)17(23-25)15-5-4-14(20)10-16(15)21/h4-5,10,12,22H,6-9,11H2,1-3H3
InChIKeyXHQWFMWGAFSVJT-UHFFFAOYSA-N
XLogP2.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one
CID 66510155
N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3235823
N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3236319
N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 3237431
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3237638
N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3238833
2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]-N-(3-piperidin-1-ylpropyl)acetamide
CID 3241030
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1(6H)-yl)propanamide
CID 3242957
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3244753
2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]acetamide
CID 3245998
7-ethyl-1,4-dimethyl-8-oxo-5-phenyl-2H-pyrido[2,3-d]pyridazine-3-carbonitrile
CID 10518739
3-(6-oxo-3-phenylpyridazin-1(6H)-yl)-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 16193578

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 6-(2,4-difluorophenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one (CID 67213572) is 6-(2,4-difluorophenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 6-(2,4-difluorophenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 6-(2,4-difluorophenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one is Cc1c(-c2ccc(F)cc2F)nn(CC(C)C)c(=O)c1N1CCNCC1.
What is the InChIKey of 6-(2,4-difluorophenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one?
The InChIKey is XHQWFMWGAFSVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O/c1-12(2)11-25-19(26)18(24-8-6-22-7-9-24)13(3)17(23-25)15-5-4-14(20)10-16(15)21/h4-5,10,12,22H,6-9,11H2,1-3H3.
What are the key properties of 6-(2,4-difluorophenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one?
6-(2,4-difluorophenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one has a molecular weight of 362.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 67213572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).