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

C15H13BrN4O2S — CID 3823294

IUPAC2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C15H13BrN4O2S/c1-22-11-4-2-3-10(6-11)18-13(21)8-23-15-19-12-5-9(16)7-17-14(12)20-15/h2-7H,8H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyBLLAJWCDQYXRON-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.46
Rot. Bonds5

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

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide (PubChem CID 3823294) has the molecular formula C15H13BrN4O2S and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
PubChem CID3823294
Molecular FormulaC15H13BrN4O2S
Molecular Weight393.27 g/mol
Exact Mass391.99
IUPAC Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)c1
InChIInChI=1S/C15H13BrN4O2S/c1-22-11-4-2-3-10(6-11)18-13(21)8-23-15-19-12-5-9(16)7-17-14(12)20-15/h2-7H,8H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyBLLAJWCDQYXRON-UHFFFAOYSA-N
XLogP3.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide with MolForge

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Related Compounds

Omeprazole sulfide
CID 155794
N-Benzo[1,3]dioxol-5-yl-2-(3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetamide
CID 586414
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2042300
2-[(6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 3923762
N-(3,4-Dimethoxyphenyl)-2-{3H-imidazo[4,5-B]pyridin-2-ylsulfanyl}acetamide
CID 3260782
5-Methoxy-2-(2-pyridylmethylthio)benzimidazole
CID 4674678
2-[2-(4-methoxypyridin-2-yl)ethyl]-6-bromo-3H-imidazo[4,5-b]pyridine
CID 10308710
N-(3,4-dimethoxyphenyl)-2-({5-methoxy-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)acetamide
CID 101891745
2-[(6-amino-9H-purin-8-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 101891746
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(3-methoxyphenyl)-
CID 54999
N-(2,5-diethoxyphenyl)-2-[(3-methyl-2-imidazo[4,5-b]pyridinyl)thio]acetamide
CID 649938
N-(2,5-Dimethoxy-phenyl)-2-(3-methyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetamide
CID 654337

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide (CID 3823294) is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)c1.
What is the InChIKey of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is BLLAJWCDQYXRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2S/c1-22-11-4-2-3-10(6-11)18-13(21)8-23-15-19-12-5-9(16)7-17-14(12)20-15/h2-7H,8H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide?
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 393.27 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 3823294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).