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

C17H17BrN4OS — CID 2044631

IUPAC2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)c(C)c1
InChIInChI=1S/C17H17BrN4OS/c1-9-4-10(2)15(11(3)5-9)21-14(23)8-24-17-20-13-6-12(18)7-19-16(13)22-17/h4-7H,8H2,1-3H3,(H,21,23)(H,19,20,22)
InChIKeyAMBHGYYJROSFPY-UHFFFAOYSA-N
MW405.32 g/mol
LogP4.38
Rot. Bonds4

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

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 2044631) has the molecular formula C17H17BrN4OS and a molecular weight of 405.32 g/mol. Its IUPAC name is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID2044631
Molecular FormulaC17H17BrN4OS
Molecular Weight405.32 g/mol
Exact Mass404.03
IUPAC Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)c(C)c1
InChIInChI=1S/C17H17BrN4OS/c1-9-4-10(2)15(11(3)5-9)21-14(23)8-24-17-20-13-6-12(18)7-19-16(13)22-17/h4-7H,8H2,1-3H3,(H,21,23)(H,19,20,22)
InChIKeyAMBHGYYJROSFPY-UHFFFAOYSA-N
XLogP4.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.38
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-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (CID 2044631) is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)c(C)c1.
What is the InChIKey of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is AMBHGYYJROSFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4OS/c1-9-4-10(2)15(11(3)5-9)21-14(23)8-24-17-20-13-6-12(18)7-19-16(13)22-17/h4-7H,8H2,1-3H3,(H,21,23)(H,19,20,22).
What are the key properties of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 405.32 g/mol, XLogP of 4.38, 4 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-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 2044631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).