6-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine

C32H34N6O3S — CID 11410638

About 6-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine

6-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 11410638) has the molecular formula C32H34N6O3S and a molecular weight of 582.73 g/mol. Its IUPAC name is 6-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 6-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
• PubChem CID: 11410638
• Molecular Formula: C32H34N6O3S
• Molecular Weight: 582.73 g/mol
• Exact Mass: 582.24
• IUPAC Name: 6-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
• SMILES: COc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCN(c6ccc(C)cc6C)CC5)cc4)cc3[nH]2)c1
• InChI: InChI=1S/C32H34N6O3S/c1-22-4-10-30(23(2)18-22)37-14-16-38(17-15-37)42(39,40)28-8-5-24(6-9-28)25-19-29-32(34-21-25)36-31(35-29)11-7-26-20-27(41-3)12-13-33-26/h4-6,8-10,12-13,18-21H,7,11,14-17H2,1-3H3,(H,34,35,36)
• InChIKey: MMPFTVHFXNBWIJ-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 104.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.73
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 6-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine (CID 11410638) is 6-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 6-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 6-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine is COc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCN(c6ccc(C)cc6C)CC5)cc4)cc3[nH]2)c1.

What is the InChIKey of 6-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?

The InChIKey is MMPFTVHFXNBWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O3S/c1-22-4-10-30(23(2)18-22)37-14-16-38(17-15-37)42(39,40)28-8-5-24(6-9-28)25-19-29-32(34-21-25)36-31(35-29)11-7-26-20-27(41-3)12-13-33-26/h4-6,8-10,12-13,18-21H,7,11,14-17H2,1-3H3,(H,34,35,36).

What are the key properties of 6-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?

6-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 582.73 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-(2,4-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 11410638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).