2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine

C21H23FN2OS — CID 69217085

IUPAC2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine
SMILESCOc1cccnc1[C@H](C)c1c(CCN2CC(F)C2)sc2ccccc12
InChIInChI=1S/C21H23FN2OS/c1-14(21-17(25-2)7-5-10-23-21)20-16-6-3-4-8-18(16)26-19(20)9-11-24-12-15(22)13-24/h3-8,10,14-15H,9,11-13H2,1-2H3/t14-/m1/s1
InChIKeyPOSLDSJZOSNFIQ-CQSZACIVSA-N
MW370.49 g/mol
LogP4.65
Rot. Bonds6

About 2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine

2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine (PubChem CID 69217085) has the molecular formula C21H23FN2OS and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine.

Molecular Properties

Compound Name2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine
PubChem CID69217085
Molecular FormulaC21H23FN2OS
Molecular Weight370.49 g/mol
Exact Mass370.15
IUPAC Name2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine
SMILESCOc1cccnc1[C@H](C)c1c(CCN2CC(F)C2)sc2ccccc12
InChIInChI=1S/C21H23FN2OS/c1-14(21-17(25-2)7-5-10-23-21)20-16-6-3-4-8-18(16)26-19(20)9-11-24-12-15(22)13-24/h3-8,10,14-15H,9,11-13H2,1-2H3/t14-/m1/s1
InChIKeyPOSLDSJZOSNFIQ-CQSZACIVSA-N
XLogP4.65
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine?
The IUPAC name of 2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine (CID 69217085) is 2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine.
What is the SMILES notation for 2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine?
The canonical SMILES for 2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine is COc1cccnc1[C@H](C)c1c(CCN2CC(F)C2)sc2ccccc12.
What is the InChIKey of 2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine?
The InChIKey is POSLDSJZOSNFIQ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23FN2OS/c1-14(21-17(25-2)7-5-10-23-21)20-16-6-3-4-8-18(16)26-19(20)9-11-24-12-15(22)13-24/h3-8,10,14-15H,9,11-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine?
2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine has a molecular weight of 370.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[2-[2-(3-fluoroazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]-3-methoxypyridine is sourced from PubChem (CID 69217085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).