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

C26H25N9O2S — CID 134455559

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

6-[[2-methyl-7-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 134455559) has the molecular formula C26H25N9O2S and a molecular weight of 527.61 g/mol. Its IUPAC name is 6-[[2-methyl-7-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[[2-methyl-7-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
• PubChem CID: 134455559
• Molecular Formula: C26H25N9O2S
• Molecular Weight: 527.61 g/mol
• Exact Mass: 527.19
• IUPAC Name: 6-[[2-methyl-7-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
• SMILES: Cc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccc(-c4c(C)nn(C)c4C)cc3S(C)(=O)=O)c2[nH]1
• InChI: InChI=1S/C26H25N9O2S/c1-14-24(15(2)35(4)34-14)17-9-10-19(21(11-17)38(5,36)37)31-20-12-23(33-26-25(20)28-16(3)29-26)32-22-8-6-7-18(13-27)30-22/h6-12H,1-5H3,(H3,28,29,30,31,32,33)
• InChIKey: VXEWECAJNUDTEO-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 154.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.61
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-[[2-methyl-7-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 134455559) is 6-[[2-methyl-7-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

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

The canonical SMILES for 6-[[2-methyl-7-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is Cc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccc(-c4c(C)nn(C)c4C)cc3S(C)(=O)=O)c2[nH]1.

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

The InChIKey is VXEWECAJNUDTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N9O2S/c1-14-24(15(2)35(4)34-14)17-9-10-19(21(11-17)38(5,36)37)31-20-12-23(33-26-25(20)28-16(3)29-26)32-22-8-6-7-18(13-27)30-22/h6-12H,1-5H3,(H3,28,29,30,31,32,33).

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

6-[[2-methyl-7-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 527.61 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-methyl-7-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134455559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).