2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide

C23H24N4OS — CID 53074140

IUPAC2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2ccc(N3CCc4ccccc4C3)nn2)c1
InChIInChI=1S/C23H24N4OS/c1-16-7-8-17(2)20(13-16)24-22(28)15-29-23-10-9-21(25-26-23)27-12-11-18-5-3-4-6-19(18)14-27/h3-10,13H,11-12,14-15H2,1-2H3,(H,24,28)
InChIKeyYZWPFPPWJPMNDX-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.39
Rot. Bonds5

About 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide

2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide (PubChem CID 53074140) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
PubChem CID53074140
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC Name2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CSc2ccc(N3CCc4ccccc4C3)nn2)c1
InChIInChI=1S/C23H24N4OS/c1-16-7-8-17(2)20(13-16)24-22(28)15-29-23-10-9-21(25-26-23)27-12-11-18-5-3-4-6-19(18)14-27/h3-10,13H,11-12,14-15H2,1-2H3,(H,24,28)
InChIKeyYZWPFPPWJPMNDX-UHFFFAOYSA-N
XLogP4.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide with MolForge

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Related Compounds

2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 53074112
1-[6-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-4-carboxamide
CID 50826368
2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 53109043
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 53074129
N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109092
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112920337
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109121754
N-(2-methylphenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 50826032
N-(2,5-dimethylphenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093193
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 46377247
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109121762
N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108943

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide (CID 53074140) is 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CSc2ccc(N3CCc4ccccc4C3)nn2)c1.
What is the InChIKey of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is YZWPFPPWJPMNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c1-16-7-8-17(2)20(13-16)24-22(28)15-29-23-10-9-21(25-26-23)27-12-11-18-5-3-4-6-19(18)14-27/h3-10,13H,11-12,14-15H2,1-2H3,(H,24,28).
What are the key properties of 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide?
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 404.54 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 53074140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).