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

C20H20N2OS — CID 67425707

IUPAC3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane
SMILESc1cc2cc(-c3ccc(OC4CC5CCC(C4)N5)cn3)ccc2s1
InChIInChI=1S/C20H20N2OS/c1-6-20-14(7-8-24-20)9-13(1)19-5-4-17(12-21-19)23-18-10-15-2-3-16(11-18)22-15/h1,4-9,12,15-16,18,22H,2-3,10-11H2
InChIKeyQCVYSZURQFMNIV-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.63
Rot. Bonds3

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

3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane (PubChem CID 67425707) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane
PubChem CID67425707
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane
SMILESc1cc2cc(-c3ccc(OC4CC5CCC(C4)N5)cn3)ccc2s1
InChIInChI=1S/C20H20N2OS/c1-6-20-14(7-8-24-20)9-13(1)19-5-4-17(12-21-19)23-18-10-15-2-3-16(11-18)22-15/h1,4-9,12,15-16,18,22H,2-3,10-11H2
InChIKeyQCVYSZURQFMNIV-UHFFFAOYSA-N
XLogP4.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2R)-2-[6-(1-benzothiophen-5-yl)-3-pyridinyl]cyclopropan-1-amine;hydrochloride
CID 162324517
3-[6-(1-benzothiophen-5-yl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octane
CID 25069153
(1R,5S)-3-[[5-(1-benzothiophen-5-yl)-2-pyridinyl]oxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 66787488
4-(1-benzothiophen-5-yl)-1H-pyrazole
CID 67417702
3-[5-(4-methoxyphenyl)pyrimidin-2-yl]oxy-8-azabicyclo[3.2.1]octane
CID 67411641
(1S,5R)-3-[5-(4-methoxyphenyl)pyrimidin-2-yl]oxy-8-azabicyclo[3.2.1]octane
CID 67411639
2-(1-benzothiophen-5-yl)-5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3,4-thiadiazole
CID 66908971
3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane
CID 66754415
3-(6-propan-2-yloxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane
CID 16678459
N-[6-(1H-indol-5-yl)-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 25069272
(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride
CID 66721903
3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane;dihydrochloride
CID 77226760

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane (CID 67425707) is 3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane is c1cc2cc(-c3ccc(OC4CC5CCC(C4)N5)cn3)ccc2s1.
What is the InChIKey of 3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is QCVYSZURQFMNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-6-20-14(7-8-24-20)9-13(1)19-5-4-17(12-21-19)23-18-10-15-2-3-16(11-18)22-15/h1,4-9,12,15-16,18,22H,2-3,10-11H2.
What are the key properties of 3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane?
3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 336.46 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(1-benzothiophen-5-yl)-3-pyridinyl]oxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 67425707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).