2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide

C16H15BrN4OS — CID 3734127

IUPAC2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C16H15BrN4OS/c1-2-10-3-5-12(6-4-10)19-14(22)9-23-16-20-13-7-11(17)8-18-15(13)21-16/h3-8H,2,9H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyKRLMZCLLEGEKDV-UHFFFAOYSA-N
MW391.29 g/mol
LogP4.01
Rot. Bonds5

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

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide (PubChem CID 3734127) has the molecular formula C16H15BrN4OS and a molecular weight of 391.29 g/mol. Its IUPAC name is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
PubChem CID3734127
Molecular FormulaC16H15BrN4OS
Molecular Weight391.29 g/mol
Exact Mass390.01
IUPAC Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C16H15BrN4OS/c1-2-10-3-5-12(6-4-10)19-14(22)9-23-16-20-13-7-11(17)8-18-15(13)21-16/h3-8H,2,9H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyKRLMZCLLEGEKDV-UHFFFAOYSA-N
XLogP4.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide (CID 3734127) is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)cc1.
What is the InChIKey of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide?
The InChIKey is KRLMZCLLEGEKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4OS/c1-2-10-3-5-12(6-4-10)19-14(22)9-23-16-20-13-7-11(17)8-18-15(13)21-16/h3-8H,2,9H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide?
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide has a molecular weight of 391.29 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 3734127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).