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

C22H17F2NOS — CID 118708380

IUPAC3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol
SMILESOC(CCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H17F2NOS/c23-16-8-3-14(4-9-16)5-12-19(26)21-20(15-6-10-17(24)11-7-15)18-2-1-13-25-22(18)27-21/h1-4,6-11,13,19,26H,5,12H2
InChIKeyCZHGQZZAZRPPDZ-UHFFFAOYSA-N
MW381.45 g/mol
LogP5.91
Rot. Bonds5

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

3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol (PubChem CID 118708380) has the molecular formula C22H17F2NOS and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol
PubChem CID118708380
Molecular FormulaC22H17F2NOS
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Name3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol
SMILESOC(CCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1
InChIInChI=1S/C22H17F2NOS/c23-16-8-3-14(4-9-16)5-12-19(26)21-20(15-6-10-17(24)11-7-15)18-2-1-13-25-22(18)27-21/h1-4,6-11,13,19,26H,5,12H2
InChIKeyCZHGQZZAZRPPDZ-UHFFFAOYSA-N
XLogP5.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol?
The IUPAC name of 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol (CID 118708380) is 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol?
The canonical SMILES for 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol is OC(CCc1ccc(F)cc1)c1sc2ncccc2c1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol?
The InChIKey is CZHGQZZAZRPPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NOS/c23-16-8-3-14(4-9-16)5-12-19(26)21-20(15-6-10-17(24)11-7-15)18-2-1-13-25-22(18)27-21/h1-4,6-11,13,19,26H,5,12H2.
What are the key properties of 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol?
3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol has a molecular weight of 381.45 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]propan-1-ol is sourced from PubChem (CID 118708380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).