5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one

C20H18ClFN4O — CID 138484048

IUPAC5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(c3ccccc3-c3ccc(F)cc3)CC2)c1Cl
InChIInChI=1S/C20H18ClFN4O/c21-19-18(13-23-24-20(19)27)26-11-9-25(10-12-26)17-4-2-1-3-16(17)14-5-7-15(22)8-6-14/h1-8,13H,9-12H2,(H,24,27)
InChIKeyBJUDCSNNLRPLNI-UHFFFAOYSA-N
MW384.84 g/mol
LogP3.56
Rot. Bonds3

About 5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138484048) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is 5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138484048
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(c3ccccc3-c3ccc(F)cc3)CC2)c1Cl
InChIInChI=1S/C20H18ClFN4O/c21-19-18(13-23-24-20(19)27)26-11-9-25(10-12-26)17-4-2-1-3-16(17)14-5-7-15(22)8-6-14/h1-8,13H,9-12H2,(H,24,27)
InChIKeyBJUDCSNNLRPLNI-UHFFFAOYSA-N
XLogP3.56
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 138484048) is 5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCN(c3ccccc3-c3ccc(F)cc3)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is BJUDCSNNLRPLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c21-19-18(13-23-24-20(19)27)26-11-9-25(10-12-26)17-4-2-1-3-16(17)14-5-7-15(22)8-6-14/h1-8,13H,9-12H2,(H,24,27).
What are the key properties of 5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 384.84 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[2-(4-fluorophenyl)phenyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138484048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).