1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide

C20H20FN5O3S — CID 43063142

IUPAC1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccnc1-n1cccn1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN5O3S/c21-16-6-8-17(9-7-16)30(28,29)25-12-2-4-15(14-25)20(27)24-18-5-1-10-22-19(18)26-13-3-11-23-26/h1,3,5-11,13,15H,2,4,12,14H2,(H,24,27)
InChIKeyHTUXGUNZWLFYMV-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.45
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 43063142) has the molecular formula C20H20FN5O3S and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
PubChem CID43063142
Molecular FormulaC20H20FN5O3S
Molecular Weight429.48 g/mol
Exact Mass429.13
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccnc1-n1cccn1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H20FN5O3S/c21-16-6-8-17(9-7-16)30(28,29)25-12-2-4-15(14-25)20(27)24-18-5-1-10-22-19(18)26-13-3-11-23-26/h1,3,5-11,13,15H,2,4,12,14H2,(H,24,27)
InChIKeyHTUXGUNZWLFYMV-UHFFFAOYSA-N
XLogP2.45
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 7371815
(3R)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008721
(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008719
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 30885037
N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168196
(3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide
CID 41025456
1-(4-fluorophenyl)sulfonyl-N-(1-methylpyrazol-3-yl)piperidine-3-carboxamide
CID 51238050
1-(4-fluorophenyl)sulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]piperidine-3-carboxamide
CID 46521389
N-[2-(dimethylsulfamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55984969
1-(4-fluorophenyl)sulfonyl-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133168195
1-(benzenesulfonyl)-N-(2,5-difluorophenyl)piperidine-3-carboxamide
CID 43872856
(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 41242824

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide (CID 43063142) is 1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide is O=C(Nc1cccnc1-n1cccn1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is HTUXGUNZWLFYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3S/c21-16-6-8-17(9-7-16)30(28,29)25-12-2-4-15(14-25)20(27)24-18-5-1-10-22-19(18)26-13-3-11-23-26/h1,3,5-11,13,15H,2,4,12,14H2,(H,24,27).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 43063142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).