5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C25H30FN5O5S — CID 123684873

IUPAC5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCC1COc2cc(F)cc(C3CCCN3c3ccn4ncc(C(=O)NS(=O)(=O)N(C)CC)c4c3)c2O1
InChIInChI=1S/C25H30FN5O5S/c1-4-18-15-35-23-12-16(26)11-19(24(23)36-18)21-7-6-9-30(21)17-8-10-31-22(13-17)20(14-27-31)25(32)28-37(33,34)29(3)5-2/h8,10-14,18,21H,4-7,9,15H2,1-3H3,(H,28,32)
InChIKeyXYGMHDXDTKZGQA-UHFFFAOYSA-N
MW531.61 g/mol
LogP3.29
Rot. Bonds7

About 5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 123684873) has the molecular formula C25H30FN5O5S and a molecular weight of 531.61 g/mol. Its IUPAC name is 5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID123684873
Molecular FormulaC25H30FN5O5S
Molecular Weight531.61 g/mol
Exact Mass531.20
IUPAC Name5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCC1COc2cc(F)cc(C3CCCN3c3ccn4ncc(C(=O)NS(=O)(=O)N(C)CC)c4c3)c2O1
InChIInChI=1S/C25H30FN5O5S/c1-4-18-15-35-23-12-16(26)11-19(24(23)36-18)21-7-6-9-30(21)17-8-10-31-22(13-17)20(14-27-31)25(32)28-37(33,34)29(3)5-2/h8,10-14,18,21H,4-7,9,15H2,1-3H3,(H,28,32)
InChIKeyXYGMHDXDTKZGQA-UHFFFAOYSA-N
XLogP3.29
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.61
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 123684873) is 5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CCC1COc2cc(F)cc(C3CCCN3c3ccn4ncc(C(=O)NS(=O)(=O)N(C)CC)c4c3)c2O1.
What is the InChIKey of 5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is XYGMHDXDTKZGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O5S/c1-4-18-15-35-23-12-16(26)11-19(24(23)36-18)21-7-6-9-30(21)17-8-10-31-22(13-17)20(14-27-31)25(32)28-37(33,34)29(3)5-2/h8,10-14,18,21H,4-7,9,15H2,1-3H3,(H,28,32).
What are the key properties of 5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 531.61 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-ethyl-7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 123684873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).