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

C16H15BrN4O3S — CID 2042300

IUPAC2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)cc1OC
InChIInChI=1S/C16H15BrN4O3S/c1-23-12-4-3-10(6-13(12)24-2)19-14(22)8-25-16-20-11-5-9(17)7-18-15(11)21-16/h3-7H,8H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyJUCGNKQFKNDLCH-UHFFFAOYSA-N
MW423.29 g/mol
LogP3.47
Rot. Bonds6

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

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 2042300) has the molecular formula C16H15BrN4O3S and a molecular weight of 423.29 g/mol. Its IUPAC name is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID2042300
Molecular FormulaC16H15BrN4O3S
Molecular Weight423.29 g/mol
Exact Mass422.00
IUPAC Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)cc1OC
InChIInChI=1S/C16H15BrN4O3S/c1-23-12-4-3-10(6-13(12)24-2)19-14(22)8-25-16-20-11-5-9(17)7-18-15(11)21-16/h3-7H,8H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyJUCGNKQFKNDLCH-UHFFFAOYSA-N
XLogP3.47
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 3830022
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 3690567
N-(5-acetamido-2-methoxyphenyl)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 3962624
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2,4,6-tribromophenyl)acetamide
CID 1423262
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17413369
N-(3-bromophenyl)-2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetamide
CID 2041570
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 3777228
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane
CID 163392546
ethyl 2-[[2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]acetyl]amino]acetate
CID 665339
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 3800639
methyl 2-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135780502
N-(3,4-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2478928

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide (CID 2042300) is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc3ncc(Br)cc3[nH]2)cc1OC.
What is the InChIKey of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is JUCGNKQFKNDLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O3S/c1-23-12-4-3-10(6-13(12)24-2)19-14(22)8-25-16-20-11-5-9(17)7-18-15(11)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-dimethoxyphenyl)acetamide?
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 423.29 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2042300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).