6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one

C16H15FN4O3 — CID 51049174

IUPAC6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one
SMILESO=C1CN(C(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)CCN1
InChIInChI=1S/C16H15FN4O3/c17-12-3-1-11(2-4-12)13-5-6-15(23)21(19-13)10-16(24)20-8-7-18-14(22)9-20/h1-6H,7-10H2,(H,18,22)
InChIKeyCSMDRNFQRUGXMT-UHFFFAOYSA-N
MW330.32 g/mol
LogP0.01
Rot. Bonds3

About 6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one

6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one (PubChem CID 51049174) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one
PubChem CID51049174
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC Name6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one
SMILESO=C1CN(C(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)CCN1
InChIInChI=1S/C16H15FN4O3/c17-12-3-1-11(2-4-12)13-5-6-15(23)21(19-13)10-16(24)20-8-7-18-14(22)9-20/h1-6H,7-10H2,(H,18,22)
InChIKeyCSMDRNFQRUGXMT-UHFFFAOYSA-N
XLogP0.01
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7664521
6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7664527
6-(4-fluorophenyl)-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 121051551
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 121051527
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 6852091
N-(4-fluorophenyl)-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 52671372
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95284309
6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 90516792
6-(4-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7663524
4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one
CID 31095507
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
2-[2-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95390024

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one (CID 51049174) is 6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one is O=C1CN(C(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)CCN1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one?
The InChIKey is CSMDRNFQRUGXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c17-12-3-1-11(2-4-12)13-5-6-15(23)21(19-13)10-16(24)20-8-7-18-14(22)9-20/h1-6H,7-10H2,(H,18,22).
What are the key properties of 6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one?
6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one has a molecular weight of 330.32 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 51049174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).