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

C22H15F2NOS — CID 23585311

IUPAC3-(3-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-one
SMILESO=C(CCc1cccc(F)c1)c1sc2ncccc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H15F2NOS/c23-16-9-7-15(8-10-16)20-18-5-2-12-25-22(18)27-21(20)19(26)11-6-14-3-1-4-17(24)13-14/h1-5,7-10,12-13H,6,11H2
InChIKeyVEBQAYDOROKCEO-UHFFFAOYSA-N
MW379.43 g/mol
LogP6.06
Rot. Bonds5

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

3-(3-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-one (PubChem CID 23585311) has the molecular formula C22H15F2NOS and a molecular weight of 379.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-one
PubChem CID23585311
Molecular FormulaC22H15F2NOS
Molecular Weight379.43 g/mol
Exact Mass379.08
IUPAC Name3-(3-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-one
SMILESO=C(CCc1cccc(F)c1)c1sc2ncccc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H15F2NOS/c23-16-9-7-15(8-10-16)20-18-5-2-12-25-22(18)27-21(20)19(26)11-6-14-3-1-4-17(24)13-14/h1-5,7-10,12-13H,6,11H2
InChIKeyVEBQAYDOROKCEO-UHFFFAOYSA-N
XLogP6.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-one?
The IUPAC name of 3-(3-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-one (CID 23585311) is 3-(3-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-one is O=C(CCc1cccc(F)c1)c1sc2ncccc2c1-c1ccc(F)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-one?
The InChIKey is VEBQAYDOROKCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2NOS/c23-16-9-7-15(8-10-16)20-18-5-2-12-25-22(18)27-21(20)19(26)11-6-14-3-1-4-17(24)13-14/h1-5,7-10,12-13H,6,11H2.
What are the key properties of 3-(3-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-one?
3-(3-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-one has a molecular weight of 379.43 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-one is sourced from PubChem (CID 23585311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).