5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one

C17H22ClN5O — CID 142546607

IUPAC5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one
SMILESCCc1ncccc1CN1CCN(c2cn[nH]c(=O)c2Cl)C(C)C1
InChIInChI=1S/C17H22ClN5O/c1-3-14-13(5-4-6-19-14)11-22-7-8-23(12(2)10-22)15-9-20-21-17(24)16(15)18/h4-6,9,12H,3,7-8,10-11H2,1-2H3,(H,21,24)
InChIKeyFLUYFPBAYROSGR-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.09
Rot. Bonds4

About 5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 142546607) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one
PubChem CID142546607
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one
SMILESCCc1ncccc1CN1CCN(c2cn[nH]c(=O)c2Cl)C(C)C1
InChIInChI=1S/C17H22ClN5O/c1-3-14-13(5-4-6-19-14)11-22-7-8-23(12(2)10-22)15-9-20-21-17(24)16(15)18/h4-6,9,12H,3,7-8,10-11H2,1-2H3,(H,21,24)
InChIKeyFLUYFPBAYROSGR-UHFFFAOYSA-N
XLogP2.09
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one with MolForge

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Related Compounds

5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138472244
5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138472251
5-chloro-4-[4-[[2-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138472119
4-chloro-2-methyl-5-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one
CID 138484498
[3-[(3,4-dimethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 55217914
5-chloro-4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 51103947
5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 168818831
4-chloro-5-[4-[(2-ethyl-3-pyridinyl)methyl]piperazin-1-yl]-2-(oxan-2-yl)pyridazin-3-one
CID 167068745
5-chloro-4-[4-[[2-[(1S)-1-[(1R,2R)-2-[(1R)-1-[3-[[4-(5-chloro-6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-2-pyridinyl]-2,2,2-trifluoroethyl]-2-pentylcyclobutyl]-2,2,2-trifluoroethyl]-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 174076643
5-chloro-4-(2-pentan-2-ylpyrrolidin-1-yl)-1H-pyridazin-6-one
CID 133377080
5-chloro-4-[(3R)-4-[[2-(1,1-difluoroethoxy)phenyl]methyl]-3-methyl-5-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 163885583
2,3-diethylpyridine
CID 14747123

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one (CID 142546607) is 5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one is CCc1ncccc1CN1CCN(c2cn[nH]c(=O)c2Cl)C(C)C1.
What is the InChIKey of 5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is FLUYFPBAYROSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-3-14-13(5-4-6-19-14)11-22-7-8-23(12(2)10-22)15-9-20-21-17(24)16(15)18/h4-6,9,12H,3,7-8,10-11H2,1-2H3,(H,21,24).
What are the key properties of 5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 347.85 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 142546607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).