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

C26H27N9O2S — CID 134455601

About 7-N-[4-(1-cyclopropylpyrazol-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-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455601) has the molecular formula C26H27N9O2S and a molecular weight of 529.63 g/mol. Its IUPAC name is 7-N-[4-(1-cyclopropylpyrazol-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-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
• PubChem CID: 134455601
• Molecular Formula: C26H27N9O2S
• Molecular Weight: 529.63 g/mol
• Exact Mass: 529.20
• IUPAC Name: 7-N-[4-(1-cyclopropylpyrazol-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(-c4ccn(C5CC5)n4)cc3S(C)(=O)=O)c3[nH]c(C)nc3n2)nc(C)n1
• InChI: InChI=1S/C26H27N9O2S/c1-14-11-23(28-15(2)27-14)32-24-13-21(25-26(33-24)30-16(3)29-25)31-20-8-5-17(12-22(20)38(4,36)37)19-9-10-35(34-19)18-6-7-18/h5,8-13,18H,6-7H2,1-4H3,(H3,27,28,29,30,31,32,33)
• InChIKey: MQKJDCFKQKGFKY-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 143.37 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	529.63
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-N-[4-(1-cyclopropylpyrazol-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-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455601) is 7-N-[4-(1-cyclopropylpyrazol-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-cyclopropylpyrazol-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-cyclopropylpyrazol-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(-c4ccn(C5CC5)n4)cc3S(C)(=O)=O)c3[nH]c(C)nc3n2)nc(C)n1.

What is the InChIKey of 7-N-[4-(1-cyclopropylpyrazol-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 MQKJDCFKQKGFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N9O2S/c1-14-11-23(28-15(2)27-14)32-24-13-21(25-26(33-24)30-16(3)29-25)31-20-8-5-17(12-22(20)38(4,36)37)19-9-10-35(34-19)18-6-7-18/h5,8-13,18H,6-7H2,1-4H3,(H3,27,28,29,30,31,32,33).

What are the key properties of 7-N-[4-(1-cyclopropylpyrazol-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-cyclopropylpyrazol-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 529.63 g/mol, XLogP of 4.76, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[4-(1-cyclopropylpyrazol-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 134455601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).