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

C18H24ClN5O — CID 138472244

IUPAC5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCC(C)Cc1ncccc1CN1CCN(c2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C18H24ClN5O/c1-13(2)10-15-14(4-3-5-20-15)12-23-6-8-24(9-7-23)16-11-21-22-18(25)17(16)19/h3-5,11,13H,6-10,12H2,1-2H3,(H,22,25)
InChIKeyBRRHKNZAOHCWOY-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.34
Rot. Bonds5

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

5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138472244) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138472244
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCC(C)Cc1ncccc1CN1CCN(c2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C18H24ClN5O/c1-13(2)10-15-14(4-3-5-20-15)12-23-6-8-24(9-7-23)16-11-21-22-18(25)17(16)19/h3-5,11,13H,6-10,12H2,1-2H3,(H,22,25)
InChIKeyBRRHKNZAOHCWOY-UHFFFAOYSA-N
XLogP2.34
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[4-[[2-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138472119
5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138472251
5-chloro-4-[4-[(2-ethyl-3-pyridinyl)methyl]-2-methylpiperazin-1-yl]-1H-pyridazin-6-one
CID 142546607
5-chloro-4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 51103947
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-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 168818831
5-chloro-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 37101752
5-chloro-4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 43037913
5-chloro-4-[4-[(1S)-1-(2-methylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138484033
5-chloro-4-[4-(1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one
CID 138484098
5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 175651574
[4-[[4-[5-chloro-4-[4-[[2-[(1S)-1-hydroxyethyl]-3-pyridinyl]methyl]piperazin-1-yl]-6-oxopyridazin-1-yl]-2-methylphenyl]methyl]-1-(5-chloro-6-oxo-1H-pyridazin-4-yl)piperidin-4-yl] acetate
CID 138483937

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 138472244) is 5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one is CC(C)Cc1ncccc1CN1CCN(c2cn[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is BRRHKNZAOHCWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-13(2)10-15-14(4-3-5-20-15)12-23-6-8-24(9-7-23)16-11-21-22-18(25)17(16)19/h3-5,11,13H,6-10,12H2,1-2H3,(H,22,25).
What are the key properties of 5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 361.88 g/mol, XLogP of 2.34, 5 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-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138472244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).