2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide

C14H10ClFN4OS — CID 5094048

IUPAC2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1cccc(F)c1
InChIInChI=1S/C14H10ClFN4OS/c15-8-4-11-13(17-6-8)20-14(19-11)22-7-12(21)18-10-3-1-2-9(16)5-10/h1-6H,7H2,(H,18,21)(H,17,19,20)
InChIKeyJEBVBBCTBJQRDM-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.48
Rot. Bonds4

About 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (PubChem CID 5094048) has the molecular formula C14H10ClFN4OS and a molecular weight of 336.78 g/mol. Its IUPAC name is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
PubChem CID5094048
Molecular FormulaC14H10ClFN4OS
Molecular Weight336.78 g/mol
Exact Mass336.02
IUPAC Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1cccc(F)c1
InChIInChI=1S/C14H10ClFN4OS/c15-8-4-11-13(17-6-8)20-14(19-11)22-7-12(21)18-10-3-1-2-9(16)5-10/h1-6H,7H2,(H,18,21)(H,17,19,20)
InChIKeyJEBVBBCTBJQRDM-UHFFFAOYSA-N
XLogP3.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (CID 5094048) is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide is O=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1cccc(F)c1.
What is the InChIKey of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is JEBVBBCTBJQRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4OS/c15-8-4-11-13(17-6-8)20-14(19-11)22-7-12(21)18-10-3-1-2-9(16)5-10/h1-6H,7H2,(H,18,21)(H,17,19,20).
What are the key properties of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 336.78 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 5094048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).