5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

C24H24N8O2S2 — CID 134455586

About 5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455586) has the molecular formula C24H24N8O2S2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
• PubChem CID: 134455586
• Molecular Formula: C24H24N8O2S2
• Molecular Weight: 520.64 g/mol
• Exact Mass: 520.15
• IUPAC Name: 5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
• SMILES: Cc1csc(-c2ccc(Nc3cc(Nc4cnc(C)c(C)n4)nc4nc(C)[nH]c34)c(S(C)(=O)=O)c2)n1
• InChI: InChI=1S/C24H24N8O2S2/c1-12-11-35-24(26-12)16-6-7-17(19(8-16)36(5,33)34)30-18-9-20(32-23-22(18)28-15(4)29-23)31-21-10-25-13(2)14(3)27-21/h6-11H,1-5H3,(H3,27,28,29,30,31,32)
• InChIKey: KUKPPKJEYZUCHY-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 138.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.64
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The IUPAC name of 5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455586) is 5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

What is the SMILES notation for 5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The canonical SMILES for 5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1csc(-c2ccc(Nc3cc(Nc4cnc(C)c(C)n4)nc4nc(C)[nH]c34)c(S(C)(=O)=O)c2)n1.

What is the InChIKey of 5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The InChIKey is KUKPPKJEYZUCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2S2/c1-12-11-35-24(26-12)16-6-7-17(19(8-16)36(5,33)34)30-18-9-20(32-23-22(18)28-15(4)29-23)31-21-10-25-13(2)14(3)27-21/h6-11H,1-5H3,(H3,27,28,29,30,31,32).

What are the key properties of 5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 520.64 g/mol, XLogP of 5.00, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(5,6-dimethylpyrazin-2-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).