N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen

C26H26ClN7O5S — CID 167582406

About N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen

N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen (PubChem CID 167582406) has the molecular formula C26H26ClN7O5S and a molecular weight of 584.06 g/mol. Its IUPAC name is N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen
• PubChem CID: 167582406
• Molecular Formula: C26H26ClN7O5S
• Molecular Weight: 584.06 g/mol
• Exact Mass: 583.14
• IUPAC Name: N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen
• SMILES: CCOc1cccc(-c2nc3nc(Cl)c(NS(=O)(=O)c4ccc(C)cn4)nc3n2-c2c(OC)cccc2OC)n1.[H][H]
• InChI: InChI=1S/C26H24ClN7O5S.H2/c1-5-39-19-11-6-8-16(29-19)25-32-24-26(34(25)21-17(37-3)9-7-10-18(21)38-4)31-23(22(27)30-24)33-40(35,36)20-13-12-15(2)14-28-20;/h6-14H,5H2,1-4H3,(H,31,33);1H
• InChIKey: HISIUPMKPWXWNX-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 143.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.06
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen?

The IUPAC name of N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen (CID 167582406) is N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen.

What is the SMILES notation for N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen?

The canonical SMILES for N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen is CCOc1cccc(-c2nc3nc(Cl)c(NS(=O)(=O)c4ccc(C)cn4)nc3n2-c2c(OC)cccc2OC)n1.[H][H].

What is the InChIKey of N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen?

The InChIKey is HISIUPMKPWXWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN7O5S.H2/c1-5-39-19-11-6-8-16(29-19)25-32-24-26(34(25)21-17(37-3)9-7-10-18(21)38-4)31-23(22(27)30-24)33-40(35,36)20-13-12-15(2)14-28-20;/h6-14H,5H2,1-4H3,(H,31,33);1H.

What are the key properties of N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen?

N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen has a molecular weight of 584.06 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]-5-methylpyridine-2-sulfonamide;molecular hydrogen is sourced from PubChem (CID 167582406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).