2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide

C26H27Cl2N7O — CID 46868504

About 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide

2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide (PubChem CID 46868504) has the molecular formula C26H27Cl2N7O and a molecular weight of 524.46 g/mol. Its IUPAC name is 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide
• PubChem CID: 46868504
• Molecular Formula: C26H27Cl2N7O
• Molecular Weight: 524.46 g/mol
• Exact Mass: 523.17
• IUPAC Name: 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide
• SMILES: CN(C)c1ccc(-c2nc3ncc(Cl)c(N4CCN(CC(=O)Nc5cccc(Cl)c5)CC4)c3[nH]2)cc1
• InChI: InChI=1S/C26H27Cl2N7O/c1-33(2)20-8-6-17(7-9-20)25-31-23-24(21(28)15-29-26(23)32-25)35-12-10-34(11-13-35)16-22(36)30-19-5-3-4-18(27)14-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,30,36)(H,29,31,32)
• InChIKey: BQAVMICMINLKRC-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 80.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.46
LogP ≤ 5	4.76
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-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide?

The IUPAC name of 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide (CID 46868504) is 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide.

What is the SMILES notation for 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide?

The canonical SMILES for 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide is CN(C)c1ccc(-c2nc3ncc(Cl)c(N4CCN(CC(=O)Nc5cccc(Cl)c5)CC4)c3[nH]2)cc1.

What is the InChIKey of 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide?

The InChIKey is BQAVMICMINLKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N7O/c1-33(2)20-8-6-17(7-9-20)25-31-23-24(21(28)15-29-26(23)32-25)35-12-10-34(11-13-35)16-22(36)30-19-5-3-4-18(27)14-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,30,36)(H,29,31,32).

What are the key properties of 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide?

2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide has a molecular weight of 524.46 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 46868504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).