2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C22H25F2N5O3S — CID 140661524

IUPAC2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1nn2ccc(N3CCCC3c3cc(F)ccc3F)cc2c1C(N)=O
InChIInChI=1S/C22H25F2N5O3S/c1-3-27(4-2)33(31,32)22-20(21(25)30)19-13-15(9-11-29(19)26-22)28-10-5-6-18(28)16-12-14(23)7-8-17(16)24/h7-9,11-13,18H,3-6,10H2,1-2H3,(H2,25,30)
InChIKeyHGDCTXTUUZOYAA-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.08
Rot. Bonds7

About 2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 140661524) has the molecular formula C22H25F2N5O3S and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID140661524
Molecular FormulaC22H25F2N5O3S
Molecular Weight477.54 g/mol
Exact Mass477.16
IUPAC Name2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1nn2ccc(N3CCCC3c3cc(F)ccc3F)cc2c1C(N)=O
InChIInChI=1S/C22H25F2N5O3S/c1-3-27(4-2)33(31,32)22-20(21(25)30)19-13-15(9-11-29(19)26-22)28-10-5-6-18(28)16-12-14(23)7-8-17(16)24/h7-9,11-13,18H,3-6,10H2,1-2H3,(H2,25,30)
InChIKeyHGDCTXTUUZOYAA-UHFFFAOYSA-N
XLogP3.08
TPSA101.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 140661524) is 2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CCN(CC)S(=O)(=O)c1nn2ccc(N3CCCC3c3cc(F)ccc3F)cc2c1C(N)=O.
What is the InChIKey of 2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is HGDCTXTUUZOYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O3S/c1-3-27(4-2)33(31,32)22-20(21(25)30)19-13-15(9-11-29(19)26-22)28-10-5-6-18(28)16-12-14(23)7-8-17(16)24/h7-9,11-13,18H,3-6,10H2,1-2H3,(H2,25,30).
What are the key properties of 2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoyl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 140661524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).