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

C21H19Cl2F3N4O5S — CID 171553206

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

3-chloro-5-[[5-chloro-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 171553206) has the molecular formula C21H19Cl2F3N4O5S and a molecular weight of 567.37 g/mol. Its IUPAC name is 3-chloro-5-[[5-chloro-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: 3-chloro-5-[[5-chloro-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: 171553206
• Molecular Formula: C21H19Cl2F3N4O5S
• Molecular Weight: 567.37 g/mol
• Exact Mass: 566.04
• IUPAC Name: 3-chloro-5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
• SMILES: CC1(NC(=O)c2nn3ccc(Oc4ncc(Cl)cc4OCC(F)(F)F)cc3c2Cl)CCS(=O)(=O)CC1
• InChI: InChI=1S/C21H19Cl2F3N4O5S/c1-20(3-6-36(32,33)7-4-20)28-18(31)17-16(23)14-9-13(2-5-30(14)29-17)35-19-15(8-12(22)10-27-19)34-11-21(24,25)26/h2,5,8-10H,3-4,6-7,11H2,1H3,(H,28,31)
• InChIKey: YXTVQLNEGAMNKW-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 111.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.37
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[5-chloro-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 3-chloro-5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide (CID 171553206) is 3-chloro-5-[[5-chloro-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 3-chloro-5-[[5-chloro-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 3-chloro-5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide is CC1(NC(=O)c2nn3ccc(Oc4ncc(Cl)cc4OCC(F)(F)F)cc3c2Cl)CCS(=O)(=O)CC1.

What is the InChIKey of 3-chloro-5-[[5-chloro-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 YXTVQLNEGAMNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2F3N4O5S/c1-20(3-6-36(32,33)7-4-20)28-18(31)17-16(23)14-9-13(2-5-30(14)29-17)35-19-15(8-12(22)10-27-19)34-11-21(24,25)26/h2,5,8-10H,3-4,6-7,11H2,1H3,(H,28,31).

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

3-chloro-5-[[5-chloro-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 567.37 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-[[5-chloro-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 171553206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).