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

C19H16F4N4O5S — CID 171553201

IUPAC3-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
SMILESCC1(NC(=O)c2nn3ccc(Oc4ncccc4OCC(F)(F)F)cc3c2F)CS(=O)(=O)C1
InChIInChI=1S/C19H16F4N4O5S/c1-18(9-33(29,30)10-18)25-16(28)15-14(20)12-7-11(4-6-27(12)26-15)32-17-13(3-2-5-24-17)31-8-19(21,22)23/h2-7H,8-10H2,1H3,(H,25,28)
InChIKeyAOWGWARTCBNAPW-UHFFFAOYSA-N
MW488.42 g/mol
LogP2.52
Rot. Bonds6

About 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

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 (PubChem CID 171553201) has the molecular formula C19H16F4N4O5S and a molecular weight of 488.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID171553201
Molecular FormulaC19H16F4N4O5S
Molecular Weight488.42 g/mol
Exact Mass488.08
IUPAC Name3-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
SMILESCC1(NC(=O)c2nn3ccc(Oc4ncccc4OCC(F)(F)F)cc3c2F)CS(=O)(=O)C1
InChIInChI=1S/C19H16F4N4O5S/c1-18(9-33(29,30)10-18)25-16(28)15-14(20)12-7-11(4-6-27(12)26-15)32-17-13(3-2-5-24-17)31-8-19(21,22)23/h2-7H,8-10H2,1H3,(H,25,28)
InChIKeyAOWGWARTCBNAPW-UHFFFAOYSA-N
XLogP2.52
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 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-(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
methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 176912949
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
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
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
lithium 3-prop-1-en-2-yl-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 176912924
6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzimidazole-2-carboxamide
CID 171655274
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
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
5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-6-methyl-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 171553222
6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 177252850

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(NC(=O)c2nn3ccc(Oc4ncccc4OCC(F)(F)F)cc3c2F)CS(=O)(=O)C1.
What is the InChIKey of 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?
The InChIKey is AOWGWARTCBNAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O5S/c1-18(9-33(29,30)10-18)25-16(28)15-14(20)12-7-11(4-6-27(12)26-15)32-17-13(3-2-5-24-17)31-8-19(21,22)23/h2-7H,8-10H2,1H3,(H,25,28).
What are the key properties of 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?
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 has a molecular weight of 488.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171553201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).