6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

C24H25ClF5N5O4S — CID 171553116

About 6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 171553116) has the molecular formula C24H25ClF5N5O4S and a molecular weight of 610.01 g/mol. Its IUPAC name is 6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
• PubChem CID: 171553116
• Molecular Formula: C24H25ClF5N5O4S
• Molecular Weight: 610.01 g/mol
• Exact Mass: 609.12
• IUPAC Name: 6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
• SMILES: C=S1(=O)CCC(CC(F)(F)F)(NC(=O)c2nc3ccc(Oc4ncc(Cl)cc4OCC(C)(F)F)c(C)n3n2)CC1
• InChI: InChI=1S/C24H25ClF5N5O4S/c1-14-16(39-21-17(10-15(25)11-31-21)38-13-22(2,26)27)4-5-18-32-19(34-35(14)18)20(36)33-23(12-24(28,29)30)6-8-40(3,37)9-7-23/h4-5,10-11H,3,6-9,12-13H2,1-2H3,(H,33,36)
• InChIKey: ZNCAKYQMFXIOIV-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 107.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.01
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?

The IUPAC name of 6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (CID 171553116) is 6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.

What is the SMILES notation for 6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?

The canonical SMILES for 6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is C=S1(=O)CCC(CC(F)(F)F)(NC(=O)c2nc3ccc(Oc4ncc(Cl)cc4OCC(C)(F)F)c(C)n3n2)CC1.

What is the InChIKey of 6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?

The InChIKey is ZNCAKYQMFXIOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF5N5O4S/c1-14-16(39-21-17(10-15(25)11-31-21)38-13-22(2,26)27)4-5-18-32-19(34-35(14)18)20(36)33-23(12-24(28,29)30)6-8-40(3,37)9-7-23/h4-5,10-11H,3,6-9,12-13H2,1-2H3,(H,33,36).

What are the key properties of 6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?

6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 610.01 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-chloro-3-(2,2-difluoropropoxy)-2-pyridinyl]oxy]-5-methyl-N-[1-methylidene-1-oxo-4-(2,2,2-trifluoroethyl)thian-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 171553116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).