5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-7-N-[2-methylsulfonyl-4-[(2R)-oxan-2-yl]phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

C25H29N7O3S — CID 134455598

About 5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-7-N-[2-methylsulfonyl-4-[(2R)-oxan-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-[(2R)-oxan-2-yl]phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455598) has the molecular formula C25H29N7O3S and a molecular weight of 507.62 g/mol. Its IUPAC name is 5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-7-N-[2-methylsulfonyl-4-[(2R)-oxan-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-[(2R)-oxan-2-yl]phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
• PubChem CID: 134455598
• Molecular Formula: C25H29N7O3S
• Molecular Weight: 507.62 g/mol
• Exact Mass: 507.21
• IUPAC Name: 5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-7-N-[2-methylsulfonyl-4-[(2R)-oxan-2-yl]phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
• SMILES: Cc1cc(Nc2cc(Nc3ccc([C@H]4CCCCO4)cc3S(C)(=O)=O)c3[nH]c(C)nc3n2)nc(C)n1
• InChI: InChI=1S/C25H29N7O3S/c1-14-11-22(27-15(2)26-14)31-23-13-19(24-25(32-23)29-16(3)28-24)30-18-9-8-17(12-21(18)36(4,33)34)20-7-5-6-10-35-20/h8-9,11-13,20H,5-7,10H2,1-4H3,(H3,26,27,28,29,30,31,32)/t20-/m1/s1
• InChIKey: GROAOKHALLOHSW-HXUWFJFHSA-N
• XLogP: 4.81
• TPSA: 134.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.62
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-7-N-[2-methylsulfonyl-4-[(2R)-oxan-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-[(2R)-oxan-2-yl]phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455598) is 5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-7-N-[2-methylsulfonyl-4-[(2R)-oxan-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-[(2R)-oxan-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-[(2R)-oxan-2-yl]phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1cc(Nc2cc(Nc3ccc([C@H]4CCCCO4)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-[(2R)-oxan-2-yl]phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The InChIKey is GROAOKHALLOHSW-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H29N7O3S/c1-14-11-22(27-15(2)26-14)31-23-13-19(24-25(32-23)29-16(3)28-24)30-18-9-8-17(12-21(18)36(4,33)34)20-7-5-6-10-35-20/h8-9,11-13,20H,5-7,10H2,1-4H3,(H3,26,27,28,29,30,31,32)/t20-/m1/s1.

What are the key properties of 5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-7-N-[2-methylsulfonyl-4-[(2R)-oxan-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-[(2R)-oxan-2-yl]phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 507.62 g/mol, XLogP of 4.81, 6 rotatable bonds, 3 hydrogen bond donors, and 9 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-[(2R)-oxan-2-yl]phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).