5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide

C20H20F3N5O5S — CID 176912934

IUPAC5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2nn3ccc(Oc4nccnc4OCC(F)F)cc3c2F)CCS(=O)(=O)CC1
InChIInChI=1S/C20H20F3N5O5S/c1-20(3-8-34(30,31)9-4-20)26-17(29)16-15(23)13-10-12(2-7-28(13)27-16)33-19-18(24-5-6-25-19)32-11-14(21)22/h2,5-7,10,14H,3-4,8-9,11H2,1H3,(H,26,29)
InChIKeyBWDGVQXFDAZHFA-UHFFFAOYSA-N
MW499.47 g/mol
LogP2.40
Rot. Bonds7

About 5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide

5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 176912934) has the molecular formula C20H20F3N5O5S and a molecular weight of 499.47 g/mol. Its IUPAC name is 5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID176912934
Molecular FormulaC20H20F3N5O5S
Molecular Weight499.47 g/mol
Exact Mass499.11
IUPAC Name5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2nn3ccc(Oc4nccnc4OCC(F)F)cc3c2F)CCS(=O)(=O)CC1
InChIInChI=1S/C20H20F3N5O5S/c1-20(3-8-34(30,31)9-4-20)26-17(29)16-15(23)13-10-12(2-7-28(13)27-16)33-19-18(24-5-6-25-19)32-11-14(21)22/h2,5-7,10,14H,3-4,8-9,11H2,1H3,(H,26,29)
InChIKeyBWDGVQXFDAZHFA-UHFFFAOYSA-N
XLogP2.40
TPSA124.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide with MolForge

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Related Compounds

3-chloro-N-(4-methyl-1,1-dioxothian-4-yl)-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 171553236
3-fluoro-N-(3-methyl-1,1-dioxothietan-3-yl)-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 171553201
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
3-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 176912957
3-formyl-N-(4-methyl-1,1-dioxothian-4-yl)-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 176912931
6-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-8-fluoro-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553045
5-[[5-(1-hydroxyethyl)-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 171553215
1-[5-(2,2-difluoroethoxy)pyridazin-3-yl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide
CID 163200695
1-[3-(2,2-difluoroethoxy)phenyl]-3-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxobenzimidazole-5-carboxamide
CID 163200548
6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 171552778
1-[4-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]-3,3-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)-2-oxoindole-5-carboxamide
CID 163200709
3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide
CID 171552786

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide (CID 176912934) is 5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide is CC1(NC(=O)c2nn3ccc(Oc4nccnc4OCC(F)F)cc3c2F)CCS(=O)(=O)CC1.
What is the InChIKey of 5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is BWDGVQXFDAZHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O5S/c1-20(3-8-34(30,31)9-4-20)26-17(29)16-15(23)13-10-12(2-7-28(13)27-16)33-19-18(24-5-6-25-19)32-11-14(21)22/h2,5-7,10,14H,3-4,8-9,11H2,1H3,(H,26,29).
What are the key properties of 5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide?
5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 499.47 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-3-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 176912934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).