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

C23H23F2N7O2S — CID 134455959

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

7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455959) has the molecular formula C23H23F2N7O2S and a molecular weight of 499.55 g/mol. Its IUPAC name is 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
• PubChem CID: 134455959
• Molecular Formula: C23H23F2N7O2S
• Molecular Weight: 499.55 g/mol
• Exact Mass: 499.16
• IUPAC Name: 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
• SMILES: Cc1ncc(Nc2cc(Nc3ccc(C4CC4)cc3S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc1C
• InChI: InChI=1S/C23H23F2N7O2S/c1-11-12(2)27-19(10-26-11)29-18-9-16(20-22(30-18)32-23(31-20)21(24)25)28-15-7-6-14(13-4-5-13)8-17(15)35(3,33)34/h6-10,13,21H,4-5H2,1-3H3,(H3,27,28,29,30,31,32)
• InChIKey: FJMTXFGUEQDGBX-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 125.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.55
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455959) is 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine.

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

The canonical SMILES for 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1ncc(Nc2cc(Nc3ccc(C4CC4)cc3S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc1C.

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

The InChIKey is FJMTXFGUEQDGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O2S/c1-11-12(2)27-19(10-26-11)29-18-9-16(20-22(30-18)32-23(31-20)21(24)25)28-15-7-6-14(13-4-5-13)8-17(15)35(3,33)34/h6-10,13,21H,4-5H2,1-3H3,(H3,27,28,29,30,31,32).

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

7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 499.55 g/mol, XLogP of 5.07, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).