5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one

C17H21FN4O2 — CID 171994632

IUPAC5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCOc1ccc(CN2CCN(c3cnn(C)c(=O)c3)CC2)cc1F
InChIInChI=1S/C17H21FN4O2/c1-20-17(23)10-14(11-19-20)22-7-5-21(6-8-22)12-13-3-4-16(24-2)15(18)9-13/h3-4,9-11H,5-8,12H2,1-2H3
InChIKeyLXNTZMWGRHMJFP-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.25
Rot. Bonds4

About 5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 171994632) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID171994632
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCOc1ccc(CN2CCN(c3cnn(C)c(=O)c3)CC2)cc1F
InChIInChI=1S/C17H21FN4O2/c1-20-17(23)10-14(11-19-20)22-7-5-21(6-8-22)12-13-3-4-16(24-2)15(18)9-13/h3-4,9-11H,5-8,12H2,1-2H3
InChIKeyLXNTZMWGRHMJFP-UHFFFAOYSA-N
XLogP1.25
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43251327
4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbaldehyde
CID 91359286
2-methyl-5-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]pyridazin-3-one
CID 171998649
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
CID 71886708
5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 77096181
2-[(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-5-[(3S)-3-hydroxypyrrolidin-1-yl]pyridazin-3-one
CID 129324164
2-methyl-5-[4-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one
CID 28685245
cyclopropyl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399346
3-fluoro-4-[[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]methyl]benzonitrile
CID 171995812
1-tert-butyl-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264616
3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
CID 91911758
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43251546

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one (CID 171994632) is 5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one is COc1ccc(CN2CCN(c3cnn(C)c(=O)c3)CC2)cc1F.
What is the InChIKey of 5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is LXNTZMWGRHMJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-20-17(23)10-14(11-19-20)22-7-5-21(6-8-22)12-13-3-4-16(24-2)15(18)9-13/h3-4,9-11H,5-8,12H2,1-2H3.
What are the key properties of 5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 332.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 171994632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).