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

C24H28N8OS2 — CID 143492124

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

2-[4-[2-[4-[(dimethylamino)methyl]phenyl]-6-sulfanyl-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 143492124) has the molecular formula C24H28N8OS2 and a molecular weight of 508.68 g/mol. Its IUPAC name is 2-[4-[2-[4-[(dimethylamino)methyl]phenyl]-6-sulfanyl-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-[4-[(dimethylamino)methyl]phenyl]-6-sulfanyl-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 143492124
• Molecular Formula: C24H28N8OS2
• Molecular Weight: 508.68 g/mol
• Exact Mass: 508.18
• IUPAC Name: 2-[4-[2-[4-[(dimethylamino)methyl]phenyl]-6-sulfanyl-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: CN(C)Cc1ccc(-c2nc3ncc(S)c(N4CCN(CC(=O)Nc5nccs5)CC4)c3[nH]2)cc1
• InChI: InChI=1S/C24H28N8OS2/c1-30(2)14-16-3-5-17(6-4-16)22-28-20-21(18(34)13-26-23(20)29-22)32-10-8-31(9-11-32)15-19(33)27-24-25-7-12-35-24/h3-7,12-13,34H,8-11,14-15H2,1-2H3,(H,25,27,33)(H,26,28,29)
• InChIKey: OGEUUOLCRQGXSM-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 93.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.68
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[(dimethylamino)methyl]phenyl]-6-sulfanyl-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[4-[2-[4-[(dimethylamino)methyl]phenyl]-6-sulfanyl-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 143492124) is 2-[4-[2-[4-[(dimethylamino)methyl]phenyl]-6-sulfanyl-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

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

The canonical SMILES for 2-[4-[2-[4-[(dimethylamino)methyl]phenyl]-6-sulfanyl-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CN(C)Cc1ccc(-c2nc3ncc(S)c(N4CCN(CC(=O)Nc5nccs5)CC4)c3[nH]2)cc1.

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

The InChIKey is OGEUUOLCRQGXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8OS2/c1-30(2)14-16-3-5-17(6-4-16)22-28-20-21(18(34)13-26-23(20)29-22)32-10-8-31(9-11-32)15-19(33)27-24-25-7-12-35-24/h3-7,12-13,34H,8-11,14-15H2,1-2H3,(H,25,27,33)(H,26,28,29).

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

2-[4-[2-[4-[(dimethylamino)methyl]phenyl]-6-sulfanyl-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 508.68 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[4-[(dimethylamino)methyl]phenyl]-6-sulfanyl-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 143492124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).