5-N-(2,6-dimethylpyrimidin-4-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 134455465

About 5-N-(2,6-dimethylpyrimidin-4-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-(2,6-dimethylpyrimidin-4-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 134455465) has the molecular formula C24H24N8O2S2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 5-N-(2,6-dimethylpyrimidin-4-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-(2,6-dimethylpyrimidin-4-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: 134455465
• Molecular Formula: C24H24N8O2S2
• Molecular Weight: 520.64 g/mol
• Exact Mass: 520.15
• IUPAC Name: 5-N-(2,6-dimethylpyrimidin-4-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: Cc1cc(Nc2cc(Nc3ccc(-c4nc(C)cs4)cc3S(C)(=O)=O)c3[nH]c(C)nc3n2)nc(C)n1
• InChI: InChI=1S/C24H24N8O2S2/c1-12-8-20(27-14(3)25-12)31-21-10-18(22-23(32-21)29-15(4)28-22)30-17-7-6-16(9-19(17)36(5,33)34)24-26-13(2)11-35-24/h6-11H,1-5H3,(H3,25,27,28,29,30,31,32)
• InChIKey: RDZVWXKNRAPEHL-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-(2,6-dimethylpyrimidin-4-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-(2,6-dimethylpyrimidin-4-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 134455465) is 5-N-(2,6-dimethylpyrimidin-4-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-(2,6-dimethylpyrimidin-4-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-(2,6-dimethylpyrimidin-4-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 Cc1cc(Nc2cc(Nc3ccc(-c4nc(C)cs4)cc3S(C)(=O)=O)c3[nH]c(C)nc3n2)nc(C)n1.

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

What are the key properties of 5-N-(2,6-dimethylpyrimidin-4-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-(2,6-dimethylpyrimidin-4-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-(2,6-dimethylpyrimidin-4-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 134455465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).