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

C21H20ClF3N4O5S — CID 171553236

IUPAC3-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
SMILESCC1(NC(=O)c2nn3ccc(Oc4ncccc4OCC(F)(F)F)cc3c2Cl)CCS(=O)(=O)CC1
InChIInChI=1S/C21H20ClF3N4O5S/c1-20(5-9-35(31,32)10-6-20)27-18(30)17-16(22)14-11-13(4-8-29(14)28-17)34-19-15(3-2-7-26-19)33-12-21(23,24)25/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,27,30)
InChIKeyZHWZSSXTCRIDLV-UHFFFAOYSA-N
MW532.93 g/mol
LogP3.81
Rot. Bonds6

About 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

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 (PubChem CID 171553236) has the molecular formula C21H20ClF3N4O5S and a molecular weight of 532.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID171553236
Molecular FormulaC21H20ClF3N4O5S
Molecular Weight532.93 g/mol
Exact Mass532.08
IUPAC Name3-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
SMILESCC1(NC(=O)c2nn3ccc(Oc4ncccc4OCC(F)(F)F)cc3c2Cl)CCS(=O)(=O)CC1
InChIInChI=1S/C21H20ClF3N4O5S/c1-20(5-9-35(31,32)10-6-20)27-18(30)17-16(22)14-11-13(4-8-29(14)28-17)34-19-15(3-2-7-26-19)33-12-21(23,24)25/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,27,30)
InChIKeyZHWZSSXTCRIDLV-UHFFFAOYSA-N
XLogP3.81
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.93
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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-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
methyl 3-fluoro-5-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 176912949
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
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
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-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553076
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
5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
CID 171655163

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(NC(=O)c2nn3ccc(Oc4ncccc4OCC(F)(F)F)cc3c2Cl)CCS(=O)(=O)CC1.
What is the InChIKey of 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?
The InChIKey is ZHWZSSXTCRIDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N4O5S/c1-20(5-9-35(31,32)10-6-20)27-18(30)17-16(22)14-11-13(4-8-29(14)28-17)34-19-15(3-2-7-26-19)33-12-21(23,24)25/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,27,30).
What are the key properties of 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?
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 has a molecular weight of 532.93 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171553236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).