2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

C20H21F2N5O3S — CID 140661518

IUPAC2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1nn2ccc(N3CCCC3c3cccc(F)c3)c(F)c2c1C(N)=O
InChIInChI=1S/C20H21F2N5O3S/c1-25(2)31(29,30)20-16(19(23)28)18-17(22)15(8-10-27(18)24-20)26-9-4-7-14(26)12-5-3-6-13(21)11-12/h3,5-6,8,10-11,14H,4,7,9H2,1-2H3,(H2,23,28)
InChIKeyOGXNPMJAVWIMKL-UHFFFAOYSA-N
MW449.48 g/mol
LogP2.30
Rot. Bonds5

About 2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide

2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 140661518) has the molecular formula C20H21F2N5O3S and a molecular weight of 449.48 g/mol. Its IUPAC name is 2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID140661518
Molecular FormulaC20H21F2N5O3S
Molecular Weight449.48 g/mol
Exact Mass449.13
IUPAC Name2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1nn2ccc(N3CCCC3c3cccc(F)c3)c(F)c2c1C(N)=O
InChIInChI=1S/C20H21F2N5O3S/c1-25(2)31(29,30)20-16(19(23)28)18-17(22)15(8-10-27(18)24-20)26-9-4-7-14(26)12-5-3-6-13(21)11-12/h3,5-6,8,10-11,14H,4,7,9H2,1-2H3,(H2,23,28)
InChIKeyOGXNPMJAVWIMKL-UHFFFAOYSA-N
XLogP2.30
TPSA101.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-N,10-dimethyl-14-methylsulfonyl-3,4,14-triazatricyclo[7.5.0.03,7]tetradeca-1,4,6,8-tetraene-6-carboxamide
CID 68063058
4-[[(3S,4S)-4-(fluoromethyl)-1-methylsulfonylpyrrolidin-3-yl]amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937390
(7S)-N-[(1-ethylsulfonylpyrazol-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 118282410
2-[1-[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-4-yl]pyrazol-3-yl]-N-ethylacetamide
CID 126642384
3-Fluoro-2-[4-(3-methylsulfonylpyrazol-1-yl)-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 126642442
2-(2,6-Difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 126642490
US11414384, Example 101 Isomer 1
CID 139422800
US11414384, Example 101 Isomer 2
CID 156114838
(4-((2-Fluorophenyl)sulfonyl)piperazin-1-yl)(pyrazolo[1,5-a]pyridin-3-yl)methanone
CID 71797921
N,N-dibutyl-3-{[(4-fluorophenyl)sulfonyl]amino}-4,5-dihydro-1h-pyrazolo[4,3-g]indolizine-8-carboxamide
CID 129732286
4-(N,N-dimethylsulfamoyl)-N-(pyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 86266843
N-[1-(3-fluorobenzyl)-5-oxopyrrolidin-3-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 56898807

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 140661518) is 2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is CN(C)S(=O)(=O)c1nn2ccc(N3CCCC3c3cccc(F)c3)c(F)c2c1C(N)=O.
What is the InChIKey of 2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is OGXNPMJAVWIMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O3S/c1-25(2)31(29,30)20-16(19(23)28)18-17(22)15(8-10-27(18)24-20)26-9-4-7-14(26)12-5-3-6-13(21)11-12/h3,5-6,8,10-11,14H,4,7,9H2,1-2H3,(H2,23,28).
What are the key properties of 2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide?
2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 449.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoyl)-4-fluoro-5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 140661518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).