6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

C21H21ClF3N5O5S — CID 171553076

About 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 171553076) has the molecular formula C21H21ClF3N5O5S and a molecular weight of 547.94 g/mol. Its IUPAC name is 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
• PubChem CID: 171553076
• Molecular Formula: C21H21ClF3N5O5S
• Molecular Weight: 547.94 g/mol
• Exact Mass: 547.09
• IUPAC Name: 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
• SMILES: Cc1cc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)nn2cc1Oc1ncc(Cl)cc1OCC(F)(F)F
• InChI: InChI=1S/C21H21ClF3N5O5S/c1-12-7-16-27-17(18(31)28-20(2)3-5-36(32,33)6-4-20)29-30(16)10-15(12)35-19-14(8-13(22)9-26-19)34-11-21(23,24)25/h7-10H,3-6,11H2,1-2H3,(H,28,31)
• InChIKey: DBISPNOLKDQXMH-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 124.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.94
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?

The IUPAC name of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (CID 171553076) is 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.

What is the SMILES notation for 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?

The canonical SMILES for 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is Cc1cc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)nn2cc1Oc1ncc(Cl)cc1OCC(F)(F)F.

What is the InChIKey of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?

The InChIKey is DBISPNOLKDQXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF3N5O5S/c1-12-7-16-27-17(18(31)28-20(2)3-5-36(32,33)6-4-20)29-30(16)10-15(12)35-19-14(8-13(22)9-26-19)34-11-21(23,24)25/h7-10H,3-6,11H2,1-2H3,(H,28,31).

What are the key properties of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?

6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 547.94 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 171553076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).