3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine

C16H13F3N4O2S — CID 24511385

IUPAC3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESO=S(=O)(c1ccc(F)c(F)c1F)N1CCCC1c1nnc2ccccn12
InChIInChI=1S/C16H13F3N4O2S/c17-10-6-7-12(15(19)14(10)18)26(24,25)23-9-3-4-11(23)16-21-20-13-5-1-2-8-22(13)16/h1-2,5-8,11H,3-4,9H2
InChIKeyALVAETMDXRDOGD-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.67
Rot. Bonds3

About 3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 24511385) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is 3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID24511385
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC Name3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESO=S(=O)(c1ccc(F)c(F)c1F)N1CCCC1c1nnc2ccccn12
InChIInChI=1S/C16H13F3N4O2S/c17-10-6-7-12(15(19)14(10)18)26(24,25)23-9-3-4-11(23)16-21-20-13-5-1-2-8-22(13)16/h1-2,5-8,11H,3-4,9H2
InChIKeyALVAETMDXRDOGD-UHFFFAOYSA-N
XLogP2.67
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46667151
3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46595834
3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46452501
3-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 18096917
3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46445053
3-[(2R)-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 26541642
3-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 47019510
3-[1-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46650064
6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 24622191
1-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]sulfonylethyl]benzotriazole
CID 43035720
(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 46528446
[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 31314718

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 24511385) is 3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is O=S(=O)(c1ccc(F)c(F)c1F)N1CCCC1c1nnc2ccccn12.
What is the InChIKey of 3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ALVAETMDXRDOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c17-10-6-7-12(15(19)14(10)18)26(24,25)23-9-3-4-11(23)16-21-20-13-5-1-2-8-22(13)16/h1-2,5-8,11H,3-4,9H2.
What are the key properties of 3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 382.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 24511385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).