2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

C24H22F2N8O2S2 — CID 134455588

About 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455588) has the molecular formula C24H22F2N8O2S2 and a molecular weight of 556.62 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
• PubChem CID: 134455588
• Molecular Formula: C24H22F2N8O2S2
• Molecular Weight: 556.62 g/mol
• Exact Mass: 556.13
• IUPAC Name: 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
• SMILES: Cc1csc(-c2ccc(Nc3cc(Nc4cnc(C)c(C)n4)nc4nc(C(F)F)[nH]c34)c(S(C)(=O)=O)c2)n1
• InChI: InChI=1S/C24H22F2N8O2S2/c1-11-10-37-24(28-11)14-5-6-15(17(7-14)38(4,35)36)30-16-8-18(31-19-9-27-12(2)13(3)29-19)32-22-20(16)33-23(34-22)21(25)26/h5-10,21H,1-4H3,(H3,29,30,31,32,33,34)
• InChIKey: VNKTZTSVPWNHJM-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 138.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.62
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The IUPAC name of 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455588) is 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

What is the SMILES notation for 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The canonical SMILES for 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1csc(-c2ccc(Nc3cc(Nc4cnc(C)c(C)n4)nc4nc(C(F)F)[nH]c34)c(S(C)(=O)=O)c2)n1.

What is the InChIKey of 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

The InChIKey is VNKTZTSVPWNHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N8O2S2/c1-11-10-37-24(28-11)14-5-6-15(17(7-14)38(4,35)36)30-16-8-18(31-19-9-27-12(2)13(3)29-19)32-22-20(16)33-23(34-22)21(25)26/h5-10,21H,1-4H3,(H3,29,30,31,32,33,34).

What are the key properties of 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?

2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 556.62 g/mol, XLogP of 5.62, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).