[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

C18H17FN4O3S — CID 71797921

IUPAC[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H17FN4O3S/c19-15-5-1-2-7-17(15)27(25,26)22-11-9-21(10-12-22)18(24)14-13-20-23-8-4-3-6-16(14)23/h1-8,13H,9-12H2
InChIKeyUOBFGWGAGQCHHO-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.62
Rot. Bonds3

About [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 71797921) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID71797921
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESO=C(c1cnn2ccccc12)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H17FN4O3S/c19-15-5-1-2-7-17(15)27(25,26)22-11-9-21(10-12-22)18(24)14-13-20-23-8-4-3-6-16(14)23/h1-8,13H,9-12H2
InChIKeyUOBFGWGAGQCHHO-UHFFFAOYSA-N
XLogP1.62
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4aR)-1-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-pyridin-3-ylmethanone
CID 72548209
N-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 44222483
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 57400053
Ethyl 4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine-1-carboxylate
CID 5307978
1-Cyclohexyl-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
CID 6619939
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(pyrazolo[1,5-a]pyridin-3-yl)methanone
CID 42606688
1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278235
1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278436
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
[2-(4,4-Difluoropiperidin-1-yl)-5-methylsulfonylphenyl]-[2-(2-methylpyridin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 118478933
[2-(4,4-Difluoropiperidin-1-yl)-5-methylsulfonylphenyl]-[2-(5-fluoropyridin-3-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 118479006
N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]-2,5-dimethylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188592

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 71797921) is [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is O=C(c1cnn2ccccc12)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is UOBFGWGAGQCHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c19-15-5-1-2-7-17(15)27(25,26)22-11-9-21(10-12-22)18(24)14-13-20-23-8-4-3-6-16(14)23/h1-8,13H,9-12H2.
What are the key properties of [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 388.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 71797921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).