3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine

C21H23FN2OS — CID 69217276

IUPAC3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine
SMILESCOC1CN(CCc2sc3ccccc3c2[C@@H](C)c2ncccc2F)C1
InChIInChI=1S/C21H23FN2OS/c1-14(21-17(22)7-5-10-23-21)20-16-6-3-4-8-18(16)26-19(20)9-11-24-12-15(13-24)25-2/h3-8,10,14-15H,9,11-13H2,1-2H3/t14-/m1/s1
InChIKeyJSNJQUUTQUDKBX-CQSZACIVSA-N
MW370.49 g/mol
LogP4.46
Rot. Bonds6

About 3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine

3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine (PubChem CID 69217276) has the molecular formula C21H23FN2OS and a molecular weight of 370.49 g/mol. Its IUPAC name is 3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine.

Molecular Properties

Compound Name3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine
PubChem CID69217276
Molecular FormulaC21H23FN2OS
Molecular Weight370.49 g/mol
Exact Mass370.15
IUPAC Name3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine
SMILESCOC1CN(CCc2sc3ccccc3c2[C@@H](C)c2ncccc2F)C1
InChIInChI=1S/C21H23FN2OS/c1-14(21-17(22)7-5-10-23-21)20-16-6-3-4-8-18(16)26-19(20)9-11-24-12-15(13-24)25-2/h3-8,10,14-15H,9,11-13H2,1-2H3/t14-/m1/s1
InChIKeyJSNJQUUTQUDKBX-CQSZACIVSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine?
The IUPAC name of 3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine (CID 69217276) is 3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine.
What is the SMILES notation for 3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine?
The canonical SMILES for 3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine is COC1CN(CCc2sc3ccccc3c2[C@@H](C)c2ncccc2F)C1.
What is the InChIKey of 3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine?
The InChIKey is JSNJQUUTQUDKBX-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23FN2OS/c1-14(21-17(22)7-5-10-23-21)20-16-6-3-4-8-18(16)26-19(20)9-11-24-12-15(13-24)25-2/h3-8,10,14-15H,9,11-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine?
3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine has a molecular weight of 370.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(1R)-1-[2-[2-(3-methoxyazetidin-1-yl)ethyl]-1-benzothiophen-3-yl]ethyl]pyridine is sourced from PubChem (CID 69217276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).