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

C25H24FN7O4S — CID 134455545

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

6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile (PubChem CID 134455545) has the molecular formula C25H24FN7O4S and a molecular weight of 537.58 g/mol. Its IUPAC name is 6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile
• PubChem CID: 134455545
• Molecular Formula: C25H24FN7O4S
• Molecular Weight: 537.58 g/mol
• Exact Mass: 537.16
• IUPAC Name: 6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile
• SMILES: Cc1nc2nc(Nc3ccc(OC4CCOCC4)c(C#N)n3)cc(Nc3ccc(F)cc3S(C)(=O)=O)c2[nH]1
• InChI: InChI=1S/C25H24FN7O4S/c1-14-28-24-18(30-17-4-3-15(26)11-21(17)38(2,34)35)12-23(33-25(24)29-14)32-22-6-5-20(19(13-27)31-22)37-16-7-9-36-10-8-16/h3-6,11-12,16H,7-10H2,1-2H3,(H3,28,29,30,31,32,33)
• InChIKey: FZLWHDLUUCPJBW-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 154.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.58
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile (CID 134455545) is 6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile.

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

The canonical SMILES for 6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile is Cc1nc2nc(Nc3ccc(OC4CCOCC4)c(C#N)n3)cc(Nc3ccc(F)cc3S(C)(=O)=O)c2[nH]1.

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

The InChIKey is FZLWHDLUUCPJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O4S/c1-14-28-24-18(30-17-4-3-15(26)11-21(17)38(2,34)35)12-23(33-25(24)29-14)32-22-6-5-20(19(13-27)31-22)37-16-7-9-36-10-8-16/h3-6,11-12,16H,7-10H2,1-2H3,(H3,28,29,30,31,32,33).

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

6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile has a molecular weight of 537.58 g/mol, XLogP of 4.12, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile is sourced from PubChem (CID 134455545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).