5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one

C19H24ClN3O2 — CID 138484377

IUPAC5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESCCOC1(Cc2ccccc2C)CCN(c2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C19H24ClN3O2/c1-3-25-19(12-15-7-5-4-6-14(15)2)8-10-23(11-9-19)16-13-21-22-18(24)17(16)20/h4-7,13H,3,8-12H2,1-2H3,(H,22,24)
InChIKeyNPAXAINNVGYCRG-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.35
Rot. Bonds5

About 5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 138484377) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID138484377
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one
SMILESCCOC1(Cc2ccccc2C)CCN(c2cn[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C19H24ClN3O2/c1-3-25-19(12-15-7-5-4-6-14(15)2)8-10-23(11-9-19)16-13-21-22-18(24)17(16)20/h4-7,13H,3,8-12H2,1-2H3,(H,22,24)
InChIKeyNPAXAINNVGYCRG-UHFFFAOYSA-N
XLogP3.35
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 51103947
[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
5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one
CID 47151514
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 165047434
5-chloro-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 175651574
5-bromo-4-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 138471822
5-chloro-4-[1-[[2-(methoxymethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 168818874
5-chloro-4-[4-[[2-(2-methylpropyl)-3-pyridinyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138472244
5-chloro-4-[4-[1-(4-fluorophenyl)cyclopropyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138483856
5-chloro-4-[4-[(2-cyclopropyl-3-pyridinyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138472251

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one (CID 138484377) is 5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one is CCOC1(Cc2ccccc2C)CCN(c2cn[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is NPAXAINNVGYCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-3-25-19(12-15-7-5-4-6-14(15)2)8-10-23(11-9-19)16-13-21-22-18(24)17(16)20/h4-7,13H,3,8-12H2,1-2H3,(H,22,24).
What are the key properties of 5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 361.87 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138484377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).