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

C15H12BrFN4OS — CID 6145719

IUPAC2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESCc1nc2nc(SCC(=O)Nc3cccc(F)c3)[nH]c2cc1Br
InChIInChI=1S/C15H12BrFN4OS/c1-8-11(16)6-12-14(18-8)21-15(20-12)23-7-13(22)19-10-4-2-3-9(17)5-10/h2-6H,7H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyXQRXDTQLZUZWGY-UHFFFAOYSA-N
MW395.26 g/mol
LogP3.90
Rot. Bonds4

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

2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (PubChem CID 6145719) has the molecular formula C15H12BrFN4OS and a molecular weight of 395.26 g/mol. Its IUPAC name is 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
PubChem CID6145719
Molecular FormulaC15H12BrFN4OS
Molecular Weight395.26 g/mol
Exact Mass393.99
IUPAC Name2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
SMILESCc1nc2nc(SCC(=O)Nc3cccc(F)c3)[nH]c2cc1Br
InChIInChI=1S/C15H12BrFN4OS/c1-8-11(16)6-12-14(18-8)21-15(20-12)23-7-13(22)19-10-4-2-3-9(17)5-10/h2-6H,7H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyXQRXDTQLZUZWGY-UHFFFAOYSA-N
XLogP3.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide (CID 6145719) is 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide is Cc1nc2nc(SCC(=O)Nc3cccc(F)c3)[nH]c2cc1Br.
What is the InChIKey of 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is XQRXDTQLZUZWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4OS/c1-8-11(16)6-12-14(18-8)21-15(20-12)23-7-13(22)19-10-4-2-3-9(17)5-10/h2-6H,7H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide?
2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 395.26 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 6145719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).