1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone

C19H16N4OS — CID 7207393

IUPAC1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccccn2)nn1)N1CCc2ccccc21
InChIInChI=1S/C19H16N4OS/c24-19(23-12-10-14-5-1-2-7-17(14)23)13-25-18-9-8-16(21-22-18)15-6-3-4-11-20-15/h1-9,11H,10,12-13H2
InChIKeyQTVUYCZKUFVJIQ-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.22
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone

1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone (PubChem CID 7207393) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone
PubChem CID7207393
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccccn2)nn1)N1CCc2ccccc21
InChIInChI=1S/C19H16N4OS/c24-19(23-12-10-14-5-1-2-7-17(14)23)13-25-18-9-8-16(21-22-18)15-6-3-4-11-20-15/h1-9,11H,10,12-13H2
InChIKeyQTVUYCZKUFVJIQ-UHFFFAOYSA-N
XLogP3.22
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Benzylsulfanyl-6-pyridin-2-ylpyridazine
CID 7207303
1-(2,3-Dihydroindol-1-yl)-2-pyridin-2-ylsulfanylethanone
CID 892299
1-Piperidin-1-yl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
CID 6624152
2-(6-Pyridin-4-ylpyridazin-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 7162441
3-Benzylsulfanyl-6-pyridin-3-ylpyridazine
CID 7207304
N-(2,3-dimethylphenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207341
N-[(4-methylphenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207460
2-[(1-Methyl-3-indolyl)thio]-1-(4-phenyl-1-piperazinyl)ethanone
CID 5128077
N-cyclohexyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide
CID 7207329
2-((6-(pyridin-3-yl)pyridazin-3-yl)thio)-N-(m-tolyl)acetamide
CID 7222431
N-(3,4-difluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222501
2-(6-pyridin-3-ylpyridazin-3-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7502916

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone (CID 7207393) is 1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone is O=C(CSc1ccc(-c2ccccn2)nn1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone?
The InChIKey is QTVUYCZKUFVJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c24-19(23-12-10-14-5-1-2-7-17(14)23)13-25-18-9-8-16(21-22-18)15-6-3-4-11-20-15/h1-9,11H,10,12-13H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone?
1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone has a molecular weight of 348.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone is sourced from PubChem (CID 7207393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).