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

C25H21F5N8O2S — CID 134455604

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

2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455604) has the molecular formula C25H21F5N8O2S and a molecular weight of 592.55 g/mol. Its IUPAC name is 2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-4-yl)-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-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
• PubChem CID: 134455604
• Molecular Formula: C25H21F5N8O2S
• Molecular Weight: 592.55 g/mol
• Exact Mass: 592.14
• IUPAC Name: 2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
• SMILES: Cc1c(-c2ccc(Nc3cc(Nc4cccc(C(F)(F)F)n4)nc4nc(C(F)F)[nH]c34)c(S(C)(=O)=O)c2)cnn1C
• InChI: InChI=1S/C25H21F5N8O2S/c1-12-14(11-31-38(12)2)13-7-8-15(17(9-13)41(3,39)40)32-16-10-20(35-23-21(16)36-24(37-23)22(26)27)34-19-6-4-5-18(33-19)25(28,29)30/h4-11,22H,1-3H3,(H3,32,33,34,35,36,37)
• InChIKey: KQGIOEYXACTTOL-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 130.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.55
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-4-yl)-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-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455604) is 2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-4-yl)-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-[4-(1,5-dimethylpyrazol-4-yl)-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-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1c(-c2ccc(Nc3cc(Nc4cccc(C(F)(F)F)n4)nc4nc(C(F)F)[nH]c34)c(S(C)(=O)=O)c2)cnn1C.

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

The InChIKey is KQGIOEYXACTTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F5N8O2S/c1-12-14(11-31-38(12)2)13-7-8-15(17(9-13)41(3,39)40)32-16-10-20(35-23-21(16)36-24(37-23)22(26)27)34-19-6-4-5-18(33-19)25(28,29)30/h4-11,22H,1-3H3,(H3,32,33,34,35,36,37).

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

2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 592.55 g/mol, XLogP of 5.91, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethyl)-7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).