[5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide

C21H21ClN6O5S — CID 175806574

About [5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide

[5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide (PubChem CID 175806574) has the molecular formula C21H21ClN6O5S and a molecular weight of 504.96 g/mol. Its IUPAC name is [5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide.

Molecular Properties

• Compound Name: [5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
• PubChem CID: 175806574
• Molecular Formula: C21H21ClN6O5S
• Molecular Weight: 504.96 g/mol
• Exact Mass: 504.10
• IUPAC Name: [5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
• SMILES: CCOc1cccc(-c2nc3nc(CS(N)(=O)=O)c(Cl)nc3n2-c2c(OC)cccc2OC)n1
• InChI: InChI=1S/C21H21ClN6O5S/c1-4-33-16-10-5-7-12(24-16)20-27-19-21(26-18(22)13(25-19)11-34(23,29)30)28(20)17-14(31-2)8-6-9-15(17)32-3/h5-10H,4,11H2,1-3H3,(H2,23,29,30)
• InChIKey: HBCXJANMYKTKFD-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 144.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.96
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide?

The IUPAC name of [5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide (CID 175806574) is [5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide.

What is the SMILES notation for [5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide?

The canonical SMILES for [5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide is CCOc1cccc(-c2nc3nc(CS(N)(=O)=O)c(Cl)nc3n2-c2c(OC)cccc2OC)n1.

What is the InChIKey of [5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide?

The InChIKey is HBCXJANMYKTKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O5S/c1-4-33-16-10-5-7-12(24-16)20-27-19-21(26-18(22)13(25-19)11-34(23,29)30)28(20)17-14(31-2)8-6-9-15(17)32-3/h5-10H,4,11H2,1-3H3,(H2,23,29,30).

What are the key properties of [5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide?

[5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide has a molecular weight of 504.96 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide is sourced from PubChem (CID 175806574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).