5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one

C18H22ClFN4O — CID 138472078

IUPAC5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCC[C@@H]1CN(Cc2ccc(F)cc2C)CCN1c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C18H22ClFN4O/c1-3-15-11-23(10-13-4-5-14(20)8-12(13)2)6-7-24(15)16-9-21-22-18(25)17(16)19/h4-5,8-9,15H,3,6-7,10-11H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyMKSLZHXMUGPXDW-OAHLLOKOSA-N
MW364.85 g/mol
LogP2.97
Rot. Bonds4

About 5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138472078) has the molecular formula C18H22ClFN4O and a molecular weight of 364.85 g/mol. Its IUPAC name is 5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138472078
Molecular FormulaC18H22ClFN4O
Molecular Weight364.85 g/mol
Exact Mass364.15
IUPAC Name5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCC[C@@H]1CN(Cc2ccc(F)cc2C)CCN1c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C18H22ClFN4O/c1-3-15-11-23(10-13-4-5-14(20)8-12(13)2)6-7-24(15)16-9-21-22-18(25)17(16)19/h4-5,8-9,15H,3,6-7,10-11H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyMKSLZHXMUGPXDW-OAHLLOKOSA-N
XLogP2.97
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one with MolForge

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Related Compounds

4-Chloro-5-(3-oxo-4-(2-(trifluoromethyl)benzyl)piperazin-1-yl)pyridazin-3(2H)-one
CID 138471783
5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
CID 734445
4-chloro-2-methyl-5-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyridazin-3-one
CID 137646779
5-bromo-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138472116
5-chloro-4-[4-[(1S)-1-(2-methylphenyl)ethyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138472351
4-Chloro-5-[4-[(2,6-dimethylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138483587
4-Chloro-5-[4-[(2-methylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138483781
5-chloro-4-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138483818
5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
CID 993406
4-Bromo-5-(4-(2-methylbenzyl)piperazin-1-yl)pyridazin-3(2H)-one
CID 17466271
5-bromo-4-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138471562
4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one
CID 138472065

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 138472078) is 5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is CC[C@@H]1CN(Cc2ccc(F)cc2C)CCN1c1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is MKSLZHXMUGPXDW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22ClFN4O/c1-3-15-11-23(10-13-4-5-14(20)8-12(13)2)6-7-24(15)16-9-21-22-18(25)17(16)19/h4-5,8-9,15H,3,6-7,10-11H2,1-2H3,(H,22,25)/t15-/m1/s1.
What are the key properties of 5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 364.85 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2R)-2-ethyl-4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138472078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).