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

C24H25N9OS — CID 46867805

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

2-[4-[6-cyano-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 46867805) has the molecular formula C24H25N9OS and a molecular weight of 487.59 g/mol. Its IUPAC name is 2-[4-[6-cyano-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[6-cyano-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 46867805
• Molecular Formula: C24H25N9OS
• Molecular Weight: 487.59 g/mol
• Exact Mass: 487.19
• IUPAC Name: 2-[4-[6-cyano-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: CN(C)c1ccc(-c2nc3ncc(C#N)c(N4CCN(CC(=O)Nc5nccs5)CC4)c3[nH]2)cc1
• InChI: InChI=1S/C24H25N9OS/c1-31(2)18-5-3-16(4-6-18)22-29-20-21(17(13-25)14-27-23(20)30-22)33-10-8-32(9-11-33)15-19(34)28-24-26-7-12-35-24/h3-7,12,14H,8-11,15H2,1-2H3,(H,26,28,34)(H,27,29,30)
• InChIKey: FBULQQBMGHQLTO-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 117.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.59
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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

The IUPAC name of 2-[4-[6-cyano-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 46867805) is 2-[4-[6-cyano-2-[4-(dimethylamino)phenyl]-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-[6-cyano-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[4-[6-cyano-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is CN(C)c1ccc(-c2nc3ncc(C#N)c(N4CCN(CC(=O)Nc5nccs5)CC4)c3[nH]2)cc1.

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

The InChIKey is FBULQQBMGHQLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9OS/c1-31(2)18-5-3-16(4-6-18)22-29-20-21(17(13-25)14-27-23(20)30-22)33-10-8-32(9-11-33)15-19(34)28-24-26-7-12-35-24/h3-7,12,14H,8-11,15H2,1-2H3,(H,26,28,34)(H,27,29,30).

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

2-[4-[6-cyano-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 487.59 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-cyano-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 46867805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).