1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone

C14H10FN3OS — CID 665364

IUPAC1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nc2ncccc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C14H10FN3OS/c15-10-5-3-9(4-6-10)12(19)8-20-14-17-11-2-1-7-16-13(11)18-14/h1-7H,8H2,(H,16,17,18)
InChIKeyOCVNCPWNTFJFMX-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.07
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone

1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone (PubChem CID 665364) has the molecular formula C14H10FN3OS and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone
PubChem CID665364
Molecular FormulaC14H10FN3OS
Molecular Weight287.32 g/mol
Exact Mass287.05
IUPAC Name1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone
SMILESO=C(CSc1nc2ncccc2[nH]1)c1ccc(F)cc1
InChIInChI=1S/C14H10FN3OS/c15-10-5-3-9(4-6-10)12(19)8-20-14-17-11-2-1-7-16-13(11)18-14/h1-7H,8H2,(H,16,17,18)
InChIKeyOCVNCPWNTFJFMX-UHFFFAOYSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone (CID 665364) is 1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone is O=C(CSc1nc2ncccc2[nH]1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone?
The InChIKey is OCVNCPWNTFJFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS/c15-10-5-3-9(4-6-10)12(19)8-20-14-17-11-2-1-7-16-13(11)18-14/h1-7H,8H2,(H,16,17,18).
What are the key properties of 1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone?
1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone has a molecular weight of 287.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone is sourced from PubChem (CID 665364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).