5-[2-(difluoromethoxy)-5-(2-methyl-2-methylsulfonylpropoxy)-4-pyridinyl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine

C24H26F2N6O4S — CID 164605741

About 5-[2-(difluoromethoxy)-5-(2-methyl-2-methylsulfonylpropoxy)-4-pyridinyl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine

5-[2-(difluoromethoxy)-5-(2-methyl-2-methylsulfonylpropoxy)-4-pyridinyl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine (PubChem CID 164605741) has the molecular formula C24H26F2N6O4S and a molecular weight of 532.57 g/mol. Its IUPAC name is 5-[2-(difluoromethoxy)-5-(2-methyl-2-methylsulfonylpropoxy)-4-pyridinyl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[2-(difluoromethoxy)-5-(2-methyl-2-methylsulfonylpropoxy)-4-pyridinyl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine
• PubChem CID: 164605741
• Molecular Formula: C24H26F2N6O4S
• Molecular Weight: 532.57 g/mol
• Exact Mass: 532.17
• IUPAC Name: 5-[2-(difluoromethoxy)-5-(2-methyl-2-methylsulfonylpropoxy)-4-pyridinyl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine
• SMILES: Cc1cc(Nc2cc3cc(-c4cc(OC(F)F)ncc4OCC(C)(C)S(C)(=O)=O)ccn3n2)nc(C)n1
• InChI: InChI=1S/C24H26F2N6O4S/c1-14-8-20(29-15(2)28-14)30-21-10-17-9-16(6-7-32(17)31-21)18-11-22(36-23(25)26)27-12-19(18)35-13-24(3,4)37(5,33)34/h6-12,23H,13H2,1-5H3,(H,28,29,30,31)
• InChIKey: QYKFUHUQWRQAKC-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 120.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.57
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[2-(difluoromethoxy)-5-(2-methyl-2-methylsulfonylpropoxy)-4-pyridinyl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine?

The IUPAC name of 5-[2-(difluoromethoxy)-5-(2-methyl-2-methylsulfonylpropoxy)-4-pyridinyl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine (CID 164605741) is 5-[2-(difluoromethoxy)-5-(2-methyl-2-methylsulfonylpropoxy)-4-pyridinyl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine.

What is the SMILES notation for 5-[2-(difluoromethoxy)-5-(2-methyl-2-methylsulfonylpropoxy)-4-pyridinyl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine?

The canonical SMILES for 5-[2-(difluoromethoxy)-5-(2-methyl-2-methylsulfonylpropoxy)-4-pyridinyl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine is Cc1cc(Nc2cc3cc(-c4cc(OC(F)F)ncc4OCC(C)(C)S(C)(=O)=O)ccn3n2)nc(C)n1.

What is the InChIKey of 5-[2-(difluoromethoxy)-5-(2-methyl-2-methylsulfonylpropoxy)-4-pyridinyl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine?

The InChIKey is QYKFUHUQWRQAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O4S/c1-14-8-20(29-15(2)28-14)30-21-10-17-9-16(6-7-32(17)31-21)18-11-22(36-23(25)26)27-12-19(18)35-13-24(3,4)37(5,33)34/h6-12,23H,13H2,1-5H3,(H,28,29,30,31).

What are the key properties of 5-[2-(difluoromethoxy)-5-(2-methyl-2-methylsulfonylpropoxy)-4-pyridinyl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine?

5-[2-(difluoromethoxy)-5-(2-methyl-2-methylsulfonylpropoxy)-4-pyridinyl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine has a molecular weight of 532.57 g/mol, XLogP of 4.35, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(difluoromethoxy)-5-(2-methyl-2-methylsulfonylpropoxy)-4-pyridinyl]-N-(2,6-dimethylpyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 164605741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).