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

C21H22F2N4O3S — CID 78128026

IUPAC5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12
InChIInChI=1S/C21H22F2N4O3S/c1-2-10-31(29,30)25-21(28)17-13-24-27-9-7-15(12-20(17)27)26-8-3-4-19(26)16-11-14(22)5-6-18(16)23/h5-7,9,11-13,19H,2-4,8,10H2,1H3,(H,25,28)
InChIKeyBLDVZJSIKDWTLF-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.42
Rot. Bonds6

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

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 78128026) has the molecular formula C21H22F2N4O3S and a molecular weight of 448.50 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID78128026
Molecular FormulaC21H22F2N4O3S
Molecular Weight448.50 g/mol
Exact Mass448.14
IUPAC Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12
InChIInChI=1S/C21H22F2N4O3S/c1-2-10-31(29,30)25-21(28)17-13-24-27-9-7-15(12-20(17)27)26-8-3-4-19(26)16-11-14(22)5-6-18(16)23/h5-7,9,11-13,19H,2-4,8,10H2,1H3,(H,25,28)
InChIKeyBLDVZJSIKDWTLF-UHFFFAOYSA-N
XLogP3.42
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127779
ethyl 4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 123482196
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599782
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598716
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598720
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;ethyl 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 158005063
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(hydroxymethyl)cyclohexyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127418
N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127945
N-[1-(2,5-difluorophenyl)-2-hydroxyethyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71599091
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127585
N-tert-butylsulfonyl-5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598812
N-tert-butylsulfonyl-5-[(2R)-2-[5-fluoro-2-(4-fluorophenyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598903

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 78128026) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide is CCCS(=O)(=O)NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3F)cc12.
What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is BLDVZJSIKDWTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3S/c1-2-10-31(29,30)25-21(28)17-13-24-27-9-7-15(12-20(17)27)26-8-3-4-19(26)16-11-14(22)5-6-18(16)23/h5-7,9,11-13,19H,2-4,8,10H2,1H3,(H,25,28).
What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 78128026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).