2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
Basic information
- CAS
849911-91-7- Standard SMILES
CC(C)c1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1- InChIKey
WQPNUZNQSJIPQH-UHFFFAOYSA-N- Molecular formula
- C17H18N4OS
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.12013238
Names & identifiers
- Preferred name
- 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
- IUPAC
- 2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
Names & synonyms
2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide849911-91-7MLS001141161CHEMBL1425983DTXSID101321040HMS2954O19STK651636AKOS005582243AKOS032392524NCGC00312778-01SMR000647409AB00857212-06
Show more names
2-((3H-imidazo[4,5-b]pyridin-2-yl)thio)-N-(4-isopropylphenyl)acetamide2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide2-[(1H-Imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
Database identifiers
- CAS
849911-91-7- PubChem CID
- 3752883
- DTXSID
DTXSID101321040- ChEMBL
CHEMBL1425983
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 398
Experimental & physicochemical properties
Solubility3.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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