4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one

C20H18ClFN4O — CID 19245484

IUPAC4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(c3ccc(F)cc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C20H18ClFN4O/c21-19-18(14-23-26(20(19)27)17-4-2-1-3-5-17)25-12-10-24(11-13-25)16-8-6-15(22)7-9-16/h1-9,14H,10-13H2
InChIKeyVZQYUMZJXFKZFC-UHFFFAOYSA-N
MW384.84 g/mol
LogP3.35
Rot. Bonds3

About 4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one

4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 19245484) has the molecular formula C20H18ClFN4O and a molecular weight of 384.84 g/mol. Its IUPAC name is 4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID19245484
Molecular FormulaC20H18ClFN4O
Molecular Weight384.84 g/mol
Exact Mass384.12
IUPAC Name4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(c3ccc(F)cc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C20H18ClFN4O/c21-19-18(14-23-26(20(19)27)17-4-2-1-3-5-17)25-12-10-24(11-13-25)16-8-6-15(22)7-9-16/h1-9,14H,10-13H2
InChIKeyVZQYUMZJXFKZFC-UHFFFAOYSA-N
XLogP3.35
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one (CID 19245484) is 4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one is O=c1c(Cl)c(N2CCN(c3ccc(F)cc3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is VZQYUMZJXFKZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O/c21-19-18(14-23-26(20(19)27)17-4-2-1-3-5-17)25-12-10-24(11-13-25)16-8-6-15(22)7-9-16/h1-9,14H,10-13H2.
What are the key properties of 4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 384.84 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 19245484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).