5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one

C15H13Cl2FN4O2 — CID 138483855

IUPAC5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
SMILESO=C1CN(c2cn[nH]c(=O)c2Cl)CCN1Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H13Cl2FN4O2/c16-11-5-10(18)2-1-9(11)7-22-4-3-21(8-13(22)23)12-6-19-20-15(24)14(12)17/h1-2,5-6H,3-4,7-8H2,(H,20,24)
InChIKeyNZMZPJPDNUMVCG-UHFFFAOYSA-N
MW371.20 g/mol
LogP2.06
Rot. Bonds3

About 5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138483855) has the molecular formula C15H13Cl2FN4O2 and a molecular weight of 371.20 g/mol. Its IUPAC name is 5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138483855
Molecular FormulaC15H13Cl2FN4O2
Molecular Weight371.20 g/mol
Exact Mass370.04
IUPAC Name5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
SMILESO=C1CN(c2cn[nH]c(=O)c2Cl)CCN1Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H13Cl2FN4O2/c16-11-5-10(18)2-1-9(11)7-22-4-3-21(8-13(22)23)12-6-19-20-15(24)14(12)17/h1-2,5-6H,3-4,7-8H2,(H,20,24)
InChIKeyNZMZPJPDNUMVCG-UHFFFAOYSA-N
XLogP2.06
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[4-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138483815
5-chloro-4-[4-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138483813
5-chloro-4-[4-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138472010
5-chloro-4-[4-[(6-methoxy-3-pyridinyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138483793
5-chloro-4-[4-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138471944
5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 43037913
5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138483856
5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]-3-hydroxypiperazin-1-yl]-1H-pyridazin-6-one
CID 138483745
5-chloro-4-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyridazin-6-one
CID 155698008
4-chloro-5-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138484167
5-chloro-4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 51103947
5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138483892

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one (CID 138483855) is 5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one is O=C1CN(c2cn[nH]c(=O)c2Cl)CCN1Cc1ccc(F)cc1Cl.
What is the InChIKey of 5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is NZMZPJPDNUMVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN4O2/c16-11-5-10(18)2-1-9(11)7-22-4-3-21(8-13(22)23)12-6-19-20-15(24)14(12)17/h1-2,5-6H,3-4,7-8H2,(H,20,24).
What are the key properties of 5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 371.20 g/mol, XLogP of 2.06, 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-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138483855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).