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

C23H25ClN8O2S — CID 23585424

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

2-[4-[6-chloro-2-[4-(2-hydroxyethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 23585424) has the molecular formula C23H25ClN8O2S and a molecular weight of 513.03 g/mol. Its IUPAC name is 2-[4-[6-chloro-2-[4-(2-hydroxyethylamino)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-chloro-2-[4-(2-hydroxyethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 23585424
• Molecular Formula: C23H25ClN8O2S
• Molecular Weight: 513.03 g/mol
• Exact Mass: 512.15
• IUPAC Name: 2-[4-[6-chloro-2-[4-(2-hydroxyethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C(CN1CCN(c2c(Cl)cnc3nc(-c4ccc(NCCO)cc4)[nH]c23)CC1)Nc1nccs1
• InChI: InChI=1S/C23H25ClN8O2S/c24-17-13-27-22-19(29-21(30-22)15-1-3-16(4-2-15)25-5-11-33)20(17)32-9-7-31(8-10-32)14-18(34)28-23-26-6-12-35-23/h1-4,6,12-13,25,33H,5,7-11,14H2,(H,26,28,34)(H,27,29,30)
• InChIKey: ZFQBIGFFPMUZNM-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 122.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.03
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-2-[4-(2-hydroxyethylamino)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-chloro-2-[4-(2-hydroxyethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 23585424) is 2-[4-[6-chloro-2-[4-(2-hydroxyethylamino)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-chloro-2-[4-(2-hydroxyethylamino)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-chloro-2-[4-(2-hydroxyethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCN(c2c(Cl)cnc3nc(-c4ccc(NCCO)cc4)[nH]c23)CC1)Nc1nccs1.

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

The InChIKey is ZFQBIGFFPMUZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8O2S/c24-17-13-27-22-19(29-21(30-22)15-1-3-16(4-2-15)25-5-11-33)20(17)32-9-7-31(8-10-32)14-18(34)28-23-26-6-12-35-23/h1-4,6,12-13,25,33H,5,7-11,14H2,(H,26,28,34)(H,27,29,30).

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

2-[4-[6-chloro-2-[4-(2-hydroxyethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 513.03 g/mol, XLogP of 2.90, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-chloro-2-[4-(2-hydroxyethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 23585424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).