6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one

C20H27FN4O2 — CID 150946988

IUPAC6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one
SMILESCOc1ccc(-c2nn(CC(C)C)c(=O)c(N3CCNCC3)c2C)cc1F
InChIInChI=1S/C20H27FN4O2/c1-13(2)12-25-20(26)19(24-9-7-22-8-10-24)14(3)18(23-25)15-5-6-17(27-4)16(21)11-15/h5-6,11,13,22H,7-10,12H2,1-4H3
InChIKeyLJGRULYTNYGMIE-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.43
Rot. Bonds5

About 6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one

6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one (PubChem CID 150946988) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one
PubChem CID150946988
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one
SMILESCOc1ccc(-c2nn(CC(C)C)c(=O)c(N3CCNCC3)c2C)cc1F
InChIInChI=1S/C20H27FN4O2/c1-13(2)12-25-20(26)19(24-9-7-22-8-10-24)14(3)18(23-25)15-5-6-17(27-4)16(21)11-15/h5-6,11,13,22H,7-10,12H2,1-4H3
InChIKeyLJGRULYTNYGMIE-UHFFFAOYSA-N
XLogP2.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one with MolForge

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Related Compounds

6-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)propyl]-5-methyl-4-piperazin-1-ylpyridazin-3-one
CID 172851738
2-[(3,4-difluorophenyl)methyl]-6-(3-fluoro-4-methoxyphenyl)-5-methyl-4-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 154394710
4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one
CID 78881007
2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one
CID 10111611
4-amino-6-(4-methoxy-3-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467631
2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one
CID 10157823
3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136995360
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171168811
2-(4-cyano-3-fluorophenyl)-6-(1,4-diazepan-1-yl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile
CID 169103086
5-amino-3-(3-fluoro-4-methoxyphenyl)-1-prop-2-enylpyrazole-4-carbaldehyde
CID 82361059
2-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692688
2-[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82133676

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one (CID 150946988) is 6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one is COc1ccc(-c2nn(CC(C)C)c(=O)c(N3CCNCC3)c2C)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one?
The InChIKey is LJGRULYTNYGMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-13(2)12-25-20(26)19(24-9-7-22-8-10-24)14(3)18(23-25)15-5-6-17(27-4)16(21)11-15/h5-6,11,13,22H,7-10,12H2,1-4H3.
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one?
6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one has a molecular weight of 374.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-5-methyl-2-(2-methylpropyl)-4-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 150946988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).