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

C20H19ClF3N5O4S — CID 171553080

IUPAC6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2nc3ccc(Oc4ncc(Cl)cc4OCC(F)(F)F)cn3n2)CCS(=O)CC1
InChIInChI=1S/C20H19ClF3N5O4S/c1-19(4-6-34(31)7-5-19)27-17(30)16-26-15-3-2-13(10-29(15)28-16)33-18-14(8-12(21)9-25-18)32-11-20(22,23)24/h2-3,8-10H,4-7,11H2,1H3,(H,27,30)
InChIKeyVFRMOOUIMYQCEB-UHFFFAOYSA-N
MW517.92 g/mol
LogP3.54
Rot. Bonds6

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

6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 171553080) has the molecular formula C20H19ClF3N5O4S and a molecular weight of 517.92 g/mol. Its IUPAC name is 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
PubChem CID171553080
Molecular FormulaC20H19ClF3N5O4S
Molecular Weight517.92 g/mol
Exact Mass517.08
IUPAC Name6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2nc3ccc(Oc4ncc(Cl)cc4OCC(F)(F)F)cn3n2)CCS(=O)CC1
InChIInChI=1S/C20H19ClF3N5O4S/c1-19(4-6-34(31)7-5-19)27-17(30)16-26-15-3-2-13(10-29(15)28-16)33-18-14(8-12(21)9-25-18)32-11-20(22,23)24/h2-3,8-10H,4-7,11H2,1H3,(H,27,30)
InChIKeyVFRMOOUIMYQCEB-UHFFFAOYSA-N
XLogP3.54
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.92
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1-oxothian-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]-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (CID 171553080) is 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1-oxothian-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]-N-(4-methyl-1-oxothian-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]-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is CC1(NC(=O)c2nc3ccc(Oc4ncc(Cl)cc4OCC(F)(F)F)cn3n2)CCS(=O)CC1.
What is the InChIKey of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is VFRMOOUIMYQCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N5O4S/c1-19(4-6-34(31)7-5-19)27-17(30)16-26-15-3-2-13(10-29(15)28-16)33-18-14(8-12(21)9-25-18)32-11-20(22,23)24/h2-3,8-10H,4-7,11H2,1H3,(H,27,30).
What are the key properties of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 517.92 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 171553080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).