1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one

C20H14FNO2S — CID 58026326

IUPAC1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one
SMILESO=C(CCc1ccoc1)c1sc2ncccc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H14FNO2S/c21-15-6-4-14(5-7-15)18-16-2-1-10-22-20(16)25-19(18)17(23)8-3-13-9-11-24-12-13/h1-2,4-7,9-12H,3,8H2
InChIKeyUQCUSCXAULRGHV-UHFFFAOYSA-N
MW351.40 g/mol
LogP5.51
Rot. Bonds5

About 1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one

1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one (PubChem CID 58026326) has the molecular formula C20H14FNO2S and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one
PubChem CID58026326
Molecular FormulaC20H14FNO2S
Molecular Weight351.40 g/mol
Exact Mass351.07
IUPAC Name1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one
SMILESO=C(CCc1ccoc1)c1sc2ncccc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H14FNO2S/c21-15-6-4-14(5-7-15)18-16-2-1-10-22-20(16)25-19(18)17(23)8-3-13-9-11-24-12-13/h1-2,4-7,9-12H,3,8H2
InChIKeyUQCUSCXAULRGHV-UHFFFAOYSA-N
XLogP5.51
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.40
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one?
The IUPAC name of 1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one (CID 58026326) is 1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one is O=C(CCc1ccoc1)c1sc2ncccc2c1-c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one?
The InChIKey is UQCUSCXAULRGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2S/c21-15-6-4-14(5-7-15)18-16-2-1-10-22-20(16)25-19(18)17(23)8-3-13-9-11-24-12-13/h1-2,4-7,9-12H,3,8H2.
What are the key properties of 1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one?
1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one has a molecular weight of 351.40 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one is sourced from PubChem (CID 58026326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).