2-[4-[(4R,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide

C41H47Cl2N7O4 — CID 67207663

About 2-[4-[(4R,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide

2-[4-[(4R,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide (PubChem CID 67207663) has the molecular formula C41H47Cl2N7O4 and a molecular weight of 772.78 g/mol. Its IUPAC name is 2-[4-[(4R,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[(4R,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide
• PubChem CID: 67207663
• Molecular Formula: C41H47Cl2N7O4
• Molecular Weight: 772.78 g/mol
• Exact Mass: 771.31
• IUPAC Name: 2-[4-[(4R,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide
• SMILES: CCOc1cc(C(C)(C)C)ncc1C1=N[C@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)Nc2cccnc2OC)CC1
• InChI: InChI=1S/C41H47Cl2N7O4/c1-8-54-33-24-34(39(2,3)4)45-25-31(33)36-47-40(5,27-11-15-29(42)16-12-27)41(6,28-13-17-30(43)18-14-28)50(36)38(52)49-22-20-48(21-23-49)26-35(51)46-32-10-9-19-44-37(32)53-7/h9-19,24-25H,8,20-23,26H2,1-7H3,(H,46,51)/t40-,41-/m1/s1
• InChIKey: GNCZUVBJJLQNHA-GYOJGHLZSA-N
• XLogP: 7.76
• TPSA: 112.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.78
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4R,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide?

The IUPAC name of 2-[4-[(4R,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide (CID 67207663) is 2-[4-[(4R,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide.

What is the SMILES notation for 2-[4-[(4R,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide?

The canonical SMILES for 2-[4-[(4R,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide is CCOc1cc(C(C)(C)C)ncc1C1=N[C@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)Nc2cccnc2OC)CC1.

What is the InChIKey of 2-[4-[(4R,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide?

The InChIKey is GNCZUVBJJLQNHA-GYOJGHLZSA-N. The full InChI is InChI=1S/C41H47Cl2N7O4/c1-8-54-33-24-34(39(2,3)4)45-25-31(33)36-47-40(5,27-11-15-29(42)16-12-27)41(6,28-13-17-30(43)18-14-28)50(36)38(52)49-22-20-48(21-23-49)26-35(51)46-32-10-9-19-44-37(32)53-7/h9-19,24-25H,8,20-23,26H2,1-7H3,(H,46,51)/t40-,41-/m1/s1.

What are the key properties of 2-[4-[(4R,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide?

2-[4-[(4R,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide has a molecular weight of 772.78 g/mol, XLogP of 7.76, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(4R,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-N-(2-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 67207663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).