7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine

C24H21FN2OS — CID 173175739

IUPAC7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine
SMILESFc1ccccc1Oc1ccnc2cc(-c3ccc(CN4CCCC4)cc3)sc12
InChIInChI=1S/C24H21FN2OS/c25-19-5-1-2-6-21(19)28-22-11-12-26-20-15-23(29-24(20)22)18-9-7-17(8-10-18)16-27-13-3-4-14-27/h1-2,5-12,15H,3-4,13-14,16H2
InChIKeyLYBGULZFZPQWGX-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.49
Rot. Bonds5

About 7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine

7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine (PubChem CID 173175739) has the molecular formula C24H21FN2OS and a molecular weight of 404.51 g/mol. Its IUPAC name is 7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine
PubChem CID173175739
Molecular FormulaC24H21FN2OS
Molecular Weight404.51 g/mol
Exact Mass404.14
IUPAC Name7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine
SMILESFc1ccccc1Oc1ccnc2cc(-c3ccc(CN4CCCC4)cc3)sc12
InChIInChI=1S/C24H21FN2OS/c25-19-5-1-2-6-21(19)28-22-11-12-26-20-15-23(29-24(20)22)18-9-7-17(8-10-18)16-27-13-3-4-14-27/h1-2,5-12,15H,3-4,13-14,16H2
InChIKeyLYBGULZFZPQWGX-UHFFFAOYSA-N
XLogP6.49
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine?
The IUPAC name of 7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine (CID 173175739) is 7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine.
What is the SMILES notation for 7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine?
The canonical SMILES for 7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine is Fc1ccccc1Oc1ccnc2cc(-c3ccc(CN4CCCC4)cc3)sc12.
What is the InChIKey of 7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine?
The InChIKey is LYBGULZFZPQWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2OS/c25-19-5-1-2-6-21(19)28-22-11-12-26-20-15-23(29-24(20)22)18-9-7-17(8-10-18)16-27-13-3-4-14-27/h1-2,5-12,15H,3-4,13-14,16H2.
What are the key properties of 7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine?
7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine has a molecular weight of 404.51 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenoxy)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]thieno[3,2-b]pyridine is sourced from PubChem (CID 173175739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).