5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide

C23H25F3N4O6S — CID 171553215

About 5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide

5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 171553215) has the molecular formula C23H25F3N4O6S and a molecular weight of 542.54 g/mol. Its IUPAC name is 5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
• PubChem CID: 171553215
• Molecular Formula: C23H25F3N4O6S
• Molecular Weight: 542.54 g/mol
• Exact Mass: 542.14
• IUPAC Name: 5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
• SMILES: CC(O)c1cnc(Oc2ccn3nc(C(=O)NC4(C)CCS(=O)(=O)CC4)cc3c2)c(OCC(F)(F)F)c1
• InChI: InChI=1S/C23H25F3N4O6S/c1-14(31)15-9-19(35-13-23(24,25)26)21(27-12-15)36-17-3-6-30-16(10-17)11-18(29-30)20(32)28-22(2)4-7-37(33,34)8-5-22/h3,6,9-12,14,31H,4-5,7-8,13H2,1-2H3,(H,28,32)
• InChIKey: KWECJVXMUOKYPC-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 132.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.54
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?

The IUPAC name of 5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide (CID 171553215) is 5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide.

What is the SMILES notation for 5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?

The canonical SMILES for 5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide is CC(O)c1cnc(Oc2ccn3nc(C(=O)NC4(C)CCS(=O)(=O)CC4)cc3c2)c(OCC(F)(F)F)c1.

What is the InChIKey of 5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?

The InChIKey is KWECJVXMUOKYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O6S/c1-14(31)15-9-19(35-13-23(24,25)26)21(27-12-15)36-17-3-6-30-16(10-17)11-18(29-30)20(32)28-22(2)4-7-37(33,34)8-5-22/h3,6,9-12,14,31H,4-5,7-8,13H2,1-2H3,(H,28,32).

What are the key properties of 5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?

5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 542.54 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 171553215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).