5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C20H20F3N5O3S — CID 71599349

IUPAC5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C20H20F3N5O3S/c1-26(2)32(30,31)25-20(29)16-10-24-28-6-5-14(9-19(16)28)27-11-13(22)8-18(27)15-7-12(21)3-4-17(15)23/h3-7,9-10,13,18H,8,11H2,1-2H3,(H,25,29)/t13-,18+/m0/s1
InChIKeyQWLLWGWZRYXCDM-SCLBCKFNSA-N
MW467.47 g/mol
LogP2.44
Rot. Bonds5

About 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide

5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 71599349) has the molecular formula C20H20F3N5O3S and a molecular weight of 467.47 g/mol. Its IUPAC name is 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID71599349
Molecular FormulaC20H20F3N5O3S
Molecular Weight467.47 g/mol
Exact Mass467.12
IUPAC Name5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)cc12
InChIInChI=1S/C20H20F3N5O3S/c1-26(2)32(30,31)25-20(29)16-10-24-28-6-5-14(9-19(16)28)27-11-13(22)8-18(27)15-7-12(21)3-4-17(15)23/h3-7,9-10,13,18H,8,11H2,1-2H3,(H,25,29)/t13-,18+/m0/s1
InChIKeyQWLLWGWZRYXCDM-SCLBCKFNSA-N
XLogP2.44
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

sodium tert-butylsulfonyl-[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]azanide
CID 140675019
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[ethyl(methyl)sulfamoyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127779
1-[5-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]ethanone
CID 130433803
N-tert-butyl-5-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 72672980
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-propylsulfonylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 78128026
ethyl 5-[(4S)-2-(2,5-difluorophenyl)-4-propan-2-ylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 130440418
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-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598720
N-[ethyl(methyl)sulfamoyl]-5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 134569992
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71598716
N-(3-cyanophenyl)sulfonyl-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127945
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[3-(dimethylcarbamoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 78127775

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 71599349) is 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide is CN(C)S(=O)(=O)NC(=O)c1cnn2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)cc12.
What is the InChIKey of 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is QWLLWGWZRYXCDM-SCLBCKFNSA-N. The full InChI is InChI=1S/C20H20F3N5O3S/c1-26(2)32(30,31)25-20(29)16-10-24-28-6-5-14(9-19(16)28)27-11-13(22)8-18(27)15-7-12(21)3-4-17(15)23/h3-7,9-10,13,18H,8,11H2,1-2H3,(H,25,29)/t13-,18+/m0/s1.
What are the key properties of 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 467.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-(dimethylsulfamoyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 71599349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).