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

C16H15BrN4OS — CID 2048070

IUPAC2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)cc1C
InChIInChI=1S/C16H15BrN4OS/c1-9-3-4-12(5-10(9)2)19-14(22)8-23-16-20-13-6-11(17)7-18-15(13)21-16/h3-7H,8H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyHSMPHGZZQHMVDH-UHFFFAOYSA-N
MW391.29 g/mol
LogP4.07
Rot. Bonds4

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

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 2048070) 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-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID2048070
Molecular FormulaC16H15BrN4OS
Molecular Weight391.29 g/mol
Exact Mass390.01
IUPAC Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)cc1C
InChIInChI=1S/C16H15BrN4OS/c1-9-3-4-12(5-10(9)2)19-14(22)8-23-16-20-13-6-11(17)7-18-15(13)21-16/h3-7H,8H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyHSMPHGZZQHMVDH-UHFFFAOYSA-N
XLogP4.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 54.07
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-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide (CID 2048070) is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)cc1C.
What is the InChIKey of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is HSMPHGZZQHMVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4OS/c1-9-3-4-12(5-10(9)2)19-14(22)8-23-16-20-13-6-11(17)7-18-15(13)21-16/h3-7H,8H2,1-2H3,(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-(3,4-dimethylphenyl)acetamide?
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 391.29 g/mol, XLogP of 4.07, 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 2048070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).