6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

C18H16F3N5O5S — CID 176912871

IUPAC6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2nc3ccc(Oc4ncc(F)cc4OCC(F)F)cn3n2)CS(=O)(=O)C1
InChIInChI=1S/C18H16F3N5O5S/c1-18(8-32(28,29)9-18)24-16(27)15-23-14-3-2-11(6-26(14)25-15)31-17-12(30-7-13(20)21)4-10(19)5-22-17/h2-6,13H,7-9H2,1H3,(H,24,27)
InChIKeyCNMRCEYMHZRZBK-UHFFFAOYSA-N
MW471.42 g/mol
LogP1.62
Rot. Bonds7

About 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 176912871) has the molecular formula C18H16F3N5O5S and a molecular weight of 471.42 g/mol. Its IUPAC name is 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
PubChem CID176912871
Molecular FormulaC18H16F3N5O5S
Molecular Weight471.42 g/mol
Exact Mass471.08
IUPAC Name6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2nc3ccc(Oc4ncc(F)cc4OCC(F)F)cn3n2)CS(=O)(=O)C1
InChIInChI=1S/C18H16F3N5O5S/c1-18(8-32(28,29)9-18)24-16(27)15-23-14-3-2-11(6-26(14)25-15)31-17-12(30-7-13(20)21)4-10(19)5-22-17/h2-6,13H,7-9H2,1H3,(H,24,27)
InChIKeyCNMRCEYMHZRZBK-UHFFFAOYSA-N
XLogP1.62
TPSA124.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (CID 176912871) is 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is CC1(NC(=O)c2nc3ccc(Oc4ncc(F)cc4OCC(F)F)cn3n2)CS(=O)(=O)C1.
What is the InChIKey of 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is CNMRCEYMHZRZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O5S/c1-18(8-32(28,29)9-18)24-16(27)15-23-14-3-2-11(6-26(14)25-15)31-17-12(30-7-13(20)21)4-10(19)5-22-17/h2-6,13H,7-9H2,1H3,(H,24,27).
What are the key properties of 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 471.42 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 176912871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).