7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine

C25H27N9O2S — CID 134455453

About 7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine

7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455453) has the molecular formula C25H27N9O2S and a molecular weight of 517.62 g/mol. Its IUPAC name is 7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
• PubChem CID: 134455453
• Molecular Formula: C25H27N9O2S
• Molecular Weight: 517.62 g/mol
• Exact Mass: 517.20
• IUPAC Name: 7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
• SMILES: Cc1cc(Nc2cc(Nc3ccc(-c4nn(C)cc4C)cc3S(C)(=O)=O)c3[nH]c(C)nc3n2)nc(C)n1
• InChI: InChI=1S/C25H27N9O2S/c1-13-12-34(5)33-23(13)17-7-8-18(20(10-17)37(6,35)36)30-19-11-22(32-25-24(19)28-16(4)29-25)31-21-9-14(2)26-15(3)27-21/h7-12H,1-6H3,(H3,26,27,28,29,30,31,32)
• InChIKey: DODFRVUVSMSDAF-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 143.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.62
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455453) is 7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine.

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

The canonical SMILES for 7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1cc(Nc2cc(Nc3ccc(-c4nn(C)cc4C)cc3S(C)(=O)=O)c3[nH]c(C)nc3n2)nc(C)n1.

What is the InChIKey of 7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The InChIKey is DODFRVUVSMSDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O2S/c1-13-12-34(5)33-23(13)17-7-8-18(20(10-17)37(6,35)36)30-19-11-22(32-25-24(19)28-16(4)29-25)31-21-9-14(2)26-15(3)27-21/h7-12H,1-6H3,(H3,26,27,28,29,30,31,32).

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

7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 517.62 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).