2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C23H23N3O3S — CID 3228046

IUPAC2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1ccc(-c2ccc(SCC(=O)N3c4ccccc4CC3C)nn2)cc1OC
InChIInChI=1S/C23H23N3O3S/c1-15-12-17-6-4-5-7-19(17)26(15)23(27)14-30-22-11-9-18(24-25-22)16-8-10-20(28-2)21(13-16)29-3/h4-11,13,15H,12,14H2,1-3H3
InChIKeyMHLKGRVJQREWMI-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.23
Rot. Bonds6

About 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 3228046) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID3228046
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCOc1ccc(-c2ccc(SCC(=O)N3c4ccccc4CC3C)nn2)cc1OC
InChIInChI=1S/C23H23N3O3S/c1-15-12-17-6-4-5-7-19(17)26(15)23(27)14-30-22-11-9-18(24-25-22)16-8-10-20(28-2)21(13-16)29-3/h4-11,13,15H,12,14H2,1-3H3
InChIKeyMHLKGRVJQREWMI-UHFFFAOYSA-N
XLogP4.23
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone with MolForge

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Related Compounds

Ethyl 4-(2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)acetyl)piperazine-1-carboxylate
CID 16194987
2-[[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone
CID 649759
2-[[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]thio]-1-(4-morpholinyl)ethanone
CID 654821
N-Cyclohexyl-2-[6-(3,4-dimethoxy-phenyl)-pyridazin-3-ylsulfanyl]-acetamide
CID 3228003
N-(3,4-dimethoxyphenethyl)-2-((6-phenylpyridazin-3-yl)thio)acetamide
CID 3228049
N-cyclopentyl-2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 7205812
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 7206276
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 7206330
N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502784
2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 16187100
N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 16194848
N-(3,4-dimethoxyphenethyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide
CID 16194096

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 3228046) is 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is COc1ccc(-c2ccc(SCC(=O)N3c4ccccc4CC3C)nn2)cc1OC.
What is the InChIKey of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is MHLKGRVJQREWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-15-12-17-6-4-5-7-19(17)26(15)23(27)14-30-22-11-9-18(24-25-22)16-8-10-20(28-2)21(13-16)29-3/h4-11,13,15H,12,14H2,1-3H3.
What are the key properties of 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 421.52 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 3228046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).