3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane

C20H21N3OS — CID 25069153

IUPAC3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(Oc1ccc(-c3ccc4sccc4c3)nn1)C2
InChIInChI=1S/C20H21N3OS/c1-23-15-3-4-16(23)12-17(11-15)24-20-7-5-18(21-22-20)13-2-6-19-14(10-13)8-9-25-19/h2,5-10,15-17H,3-4,11-12H2,1H3
InChIKeyCHNMIBHJVGDUPJ-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.36
Rot. Bonds3

About 3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane

3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 25069153) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID25069153
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(Oc1ccc(-c3ccc4sccc4c3)nn1)C2
InChIInChI=1S/C20H21N3OS/c1-23-15-3-4-16(23)12-17(11-15)24-20-7-5-18(21-22-20)13-2-6-19-14(10-13)8-9-25-19/h2,5-10,15-17H,3-4,11-12H2,1H3
InChIKeyCHNMIBHJVGDUPJ-UHFFFAOYSA-N
XLogP4.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-9-methyl-9-azabicyclo[3.3.1]nonane;2,2,2-trifluoroacetic acid
CID 66788147
(1R,5S)-3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-9-methyl-9-azabicyclo[3.3.1]nonane;2,2,2-trifluoroacetic acid
CID 66788146
(1R,5S)-3-[[5-(1-benzothiophen-5-yl)-2-pyridinyl]oxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 66787488
2-(1-benzothiophen-5-yl)-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole
CID 66908971
5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]-1H-indazole
CID 25069156
[3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-9-methyl-9-azabicyclo[3.3.1]nonan-1-yl] 2,2,2-trifluoroacetate
CID 66788148
1-methyl-5-[6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyridazin-3-yl]indole;2,2,2-trifluoroacetic acid
CID 66787658
3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane
CID 67425707
6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole
CID 25068504
5-[6-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridazin-3-yl]-1H-indole
CID 11472679
4-(1-benzothiophen-5-yl)-2-methyl-7-(6-methylpyridazin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 69001296
2-(4-chlorophenyl)-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole
CID 66908980

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane (CID 25069153) is 3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane is CN1C2CCC1CC(Oc1ccc(-c3ccc4sccc4c3)nn1)C2.
What is the InChIKey of 3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is CHNMIBHJVGDUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-23-15-3-4-16(23)12-17(11-15)24-20-7-5-18(21-22-20)13-2-6-19-14(10-13)8-9-25-19/h2,5-10,15-17H,3-4,11-12H2,1H3.
What are the key properties of 3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane?
3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 351.48 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 25069153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).