2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

C20H15F5N6O2S — CID 134455608

About 2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455608) has the molecular formula C20H15F5N6O2S and a molecular weight of 498.44 g/mol. Its IUPAC name is 2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
• PubChem CID: 134455608
• Molecular Formula: C20H15F5N6O2S
• Molecular Weight: 498.44 g/mol
• Exact Mass: 498.09
• IUPAC Name: 2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
• SMILES: CS(=O)(=O)c1ccccc1Nc1cc(Nc2cccc(C(F)(F)F)n2)nc2nc(C(F)F)[nH]c12
• InChI: InChI=1S/C20H15F5N6O2S/c1-34(32,33)12-6-3-2-5-10(12)26-11-9-15(29-18-16(11)30-19(31-18)17(21)22)28-14-8-4-7-13(27-14)20(23,24)25/h2-9,17H,1H3,(H3,26,27,28,29,30,31)
• InChIKey: YGDROKGRLBTBDM-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 112.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.44
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The IUPAC name of 2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455608) is 2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

What is the SMILES notation for 2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The canonical SMILES for 2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is CS(=O)(=O)c1ccccc1Nc1cc(Nc2cccc(C(F)(F)F)n2)nc2nc(C(F)F)[nH]c12.

What is the InChIKey of 2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The InChIKey is YGDROKGRLBTBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N6O2S/c1-34(32,33)12-6-3-2-5-10(12)26-11-9-15(29-18-16(11)30-19(31-18)17(21)22)28-14-8-4-7-13(27-14)20(23,24)25/h2-9,17H,1H3,(H3,26,27,28,29,30,31).

What are the key properties of 2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 498.44 g/mol, XLogP of 5.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).