2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one

C24H28N4O2S — CID 86874336

IUPAC2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CN3CCN(C(=O)C(C)(C)c4ccccc4)CC3)n2)s1
InChIInChI=1S/C24H28N4O2S/c1-18-9-11-21(31-18)20-10-12-22(29)28(25-20)17-26-13-15-27(16-14-26)23(30)24(2,3)19-7-5-4-6-8-19/h4-12H,13-17H2,1-3H3
InChIKeyBWLPISQCVWQALB-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.36
Rot. Bonds5

About 2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one

2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one (PubChem CID 86874336) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
PubChem CID86874336
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CN3CCN(C(=O)C(C)(C)c4ccccc4)CC3)n2)s1
InChIInChI=1S/C24H28N4O2S/c1-18-9-11-21(31-18)20-10-12-22(29)28(25-20)17-26-13-15-27(16-14-26)23(30)24(2,3)19-7-5-4-6-8-19/h4-12H,13-17H2,1-3H3
InChIKeyBWLPISQCVWQALB-UHFFFAOYSA-N
XLogP3.36
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one with MolForge

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Related Compounds

2-methyl-1-[4-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 37170612
6-(5-methylthiophen-2-yl)-2-[(2-oxopiperidin-1-yl)methyl]pyridazin-3-one
CID 75501163
2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 51308016
1-[4-(4-hydroxybutyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110931592
6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 36562735
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 47088436
2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 39567431
2-(2-hydroxy-3-phenoxypropyl)-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 110910975
2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915536
2-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 112766333
2-methyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 110346414
2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 95286774

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The IUPAC name of 2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one (CID 86874336) is 2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The canonical SMILES for 2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CN3CCN(C(=O)C(C)(C)c4ccccc4)CC3)n2)s1.
What is the InChIKey of 2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The InChIKey is BWLPISQCVWQALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-18-9-11-21(31-18)20-10-12-22(29)28(25-20)17-26-13-15-27(16-14-26)23(30)24(2,3)19-7-5-4-6-8-19/h4-12H,13-17H2,1-3H3.
What are the key properties of 2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one has a molecular weight of 436.58 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one is sourced from PubChem (CID 86874336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).