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

C20H15BrN4OS — CID 5019365

IUPAC2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
SMILESO=C(CSc1nc2ncc(Br)cc2[nH]1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H15BrN4OS/c21-14-10-17-19(22-11-14)25-20(24-17)27-12-18(26)23-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-11H,12H2,(H,23,26)(H,22,24,25)
InChIKeyNPMYMGAFPSAVGI-UHFFFAOYSA-N
MW439.34 g/mol
LogP5.12
Rot. Bonds5

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

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide (PubChem CID 5019365) has the molecular formula C20H15BrN4OS and a molecular weight of 439.34 g/mol. Its IUPAC name is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
PubChem CID5019365
Molecular FormulaC20H15BrN4OS
Molecular Weight439.34 g/mol
Exact Mass438.01
IUPAC Name2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
SMILESO=C(CSc1nc2ncc(Br)cc2[nH]1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H15BrN4OS/c21-14-10-17-19(22-11-14)25-20(24-17)27-12-18(26)23-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-11H,12H2,(H,23,26)(H,22,24,25)
InChIKeyNPMYMGAFPSAVGI-UHFFFAOYSA-N
XLogP5.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide (CID 5019365) is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide is O=C(CSc1nc2ncc(Br)cc2[nH]1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
The InChIKey is NPMYMGAFPSAVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4OS/c21-14-10-17-19(22-11-14)25-20(24-17)27-12-18(26)23-16-9-5-4-8-15(16)13-6-2-1-3-7-13/h1-11H,12H2,(H,23,26)(H,22,24,25).
What are the key properties of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide?
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(2-phenylphenyl)acetamide has a molecular weight of 439.34 g/mol, XLogP of 5.12, 5 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-phenylphenyl)acetamide is sourced from PubChem (CID 5019365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).