3-(2-methoxyethoxy)-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile

C23H23N7O4S — CID 134456212

About 3-(2-methoxyethoxy)-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile

3-(2-methoxyethoxy)-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 134456212) has the molecular formula C23H23N7O4S and a molecular weight of 493.55 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-(2-methoxyethoxy)-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
• PubChem CID: 134456212
• Molecular Formula: C23H23N7O4S
• Molecular Weight: 493.55 g/mol
• Exact Mass: 493.15
• IUPAC Name: 3-(2-methoxyethoxy)-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
• SMILES: COCCOc1ccc(Nc2cc(Nc3ccccc3S(C)(=O)=O)c3[nH]c(C)nc3n2)nc1C#N
• InChI: InChI=1S/C23H23N7O4S/c1-14-25-22-16(27-15-6-4-5-7-19(15)35(3,31)32)12-21(30-23(22)26-14)29-20-9-8-18(17(13-24)28-20)34-11-10-33-2/h4-9,12H,10-11H2,1-3H3,(H3,25,26,27,28,29,30)
• InChIKey: ZCZXHHIFDODYHM-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 154.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.55
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?

The IUPAC name of 3-(2-methoxyethoxy)-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 134456212) is 3-(2-methoxyethoxy)-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

What is the SMILES notation for 3-(2-methoxyethoxy)-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?

The canonical SMILES for 3-(2-methoxyethoxy)-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is COCCOc1ccc(Nc2cc(Nc3ccccc3S(C)(=O)=O)c3[nH]c(C)nc3n2)nc1C#N.

What is the InChIKey of 3-(2-methoxyethoxy)-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?

The InChIKey is ZCZXHHIFDODYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O4S/c1-14-25-22-16(27-15-6-4-5-7-19(15)35(3,31)32)12-21(30-23(22)26-14)29-20-9-8-18(17(13-24)28-20)34-11-10-33-2/h4-9,12H,10-11H2,1-3H3,(H3,25,26,27,28,29,30).

What are the key properties of 3-(2-methoxyethoxy)-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?

3-(2-methoxyethoxy)-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 493.55 g/mol, XLogP of 3.45, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyethoxy)-6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134456212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).