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

C23H20ClFN6O2 — CID 17434295

IUPAC4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C23H20ClFN6O2/c24-21-19(14-26-31(23(21)32)18-4-2-1-3-5-18)30-12-10-29(11-13-30)15-20-27-22(28-33-20)16-6-8-17(25)9-7-16/h1-9,14H,10-13,15H2
InChIKeyXXWJXHXTKSPTKD-UHFFFAOYSA-N
MW466.90 g/mol
LogP3.40
Rot. Bonds5

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

4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 17434295) has the molecular formula C23H20ClFN6O2 and a molecular weight of 466.90 g/mol. Its IUPAC name is 4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID17434295
Molecular FormulaC23H20ClFN6O2
Molecular Weight466.90 g/mol
Exact Mass466.13
IUPAC Name4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=c1c(Cl)c(N2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C23H20ClFN6O2/c24-21-19(14-26-31(23(21)32)18-4-2-1-3-5-18)30-12-10-29(11-13-30)15-20-27-22(28-33-20)16-6-8-17(25)9-7-16/h1-9,14H,10-13,15H2
InChIKeyXXWJXHXTKSPTKD-UHFFFAOYSA-N
XLogP3.40
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-5-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26044700
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 750957
4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 9172556
3-(4-methylsulfanylphenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 46859002
3-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 87015572
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 17493708
(4-benzylpiperazin-1-yl)-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38151790
4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31921656
2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 27156351
2-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-6-fluorobenzonitrile
CID 37122929
4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one
CID 36726677
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 1318256

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one (CID 17434295) is 4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one is O=c1c(Cl)c(N2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is XXWJXHXTKSPTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O2/c24-21-19(14-26-31(23(21)32)18-4-2-1-3-5-18)30-12-10-29(11-13-30)15-20-27-22(28-33-20)16-6-8-17(25)9-7-16/h1-9,14H,10-13,15H2.
What are the key properties of 4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 466.90 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 17434295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).