2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide

C26H28BrN7O — CID 53316508

About 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide

2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 53316508) has the molecular formula C26H28BrN7O and a molecular weight of 534.46 g/mol. Its IUPAC name is 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide
• PubChem CID: 53316508
• Molecular Formula: C26H28BrN7O
• Molecular Weight: 534.46 g/mol
• Exact Mass: 533.15
• IUPAC Name: 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide
• SMILES: CN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(CC(=O)Nc5ccccc5)CC4)c3[nH]2)cc1
• InChI: InChI=1S/C26H28BrN7O/c1-32(2)20-10-8-18(9-11-20)25-30-23-24(21(27)16-28-26(23)31-25)34-14-12-33(13-15-34)17-22(35)29-19-6-4-3-5-7-19/h3-11,16H,12-15,17H2,1-2H3,(H,29,35)(H,28,30,31)
• InChIKey: HQYNZSUEBKJXEL-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 80.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.46
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide?

The IUPAC name of 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide (CID 53316508) is 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide.

What is the SMILES notation for 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide?

The canonical SMILES for 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide is CN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(CC(=O)Nc5ccccc5)CC4)c3[nH]2)cc1.

What is the InChIKey of 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide?

The InChIKey is HQYNZSUEBKJXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrN7O/c1-32(2)20-10-8-18(9-11-20)25-30-23-24(21(27)16-28-26(23)31-25)34-14-12-33(13-15-34)17-22(35)29-19-6-4-3-5-7-19/h3-11,16H,12-15,17H2,1-2H3,(H,29,35)(H,28,30,31).

What are the key properties of 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide?

2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 534.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 53316508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).