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

C17H17FN4O3S — CID 46445053

IUPAC3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2nnc3ccccn23)cc1F
InChIInChI=1S/C17H17FN4O3S/c1-25-15-8-7-12(11-13(15)18)26(23,24)22-10-4-5-14(22)17-20-19-16-6-2-3-9-21(16)17/h2-3,6-9,11,14H,4-5,10H2,1H3
InChIKeyXZGHIDGXSRLCAC-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.40
Rot. Bonds4

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

3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 46445053) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID46445053
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC Name3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2nnc3ccccn23)cc1F
InChIInChI=1S/C17H17FN4O3S/c1-25-15-8-7-12(11-13(15)18)26(23,24)22-10-4-5-14(22)17-20-19-16-6-2-3-9-21(16)17/h2-3,6-9,11,14H,4-5,10H2,1H3
InChIKeyXZGHIDGXSRLCAC-UHFFFAOYSA-N
XLogP2.40
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46595834
3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 42649946
3-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 18096917
3-[(2R)-1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 26541642
6-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 24622191
3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 24511385
3-[1-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46650064
3-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46667151
(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51856148
3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46452501
3-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 47019510
methyl 1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 43431558

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 46445053) is 3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(S(=O)(=O)N2CCCC2c2nnc3ccccn23)cc1F.
What is the InChIKey of 3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is XZGHIDGXSRLCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c1-25-15-8-7-12(11-13(15)18)26(23,24)22-10-4-5-14(22)17-20-19-16-6-2-3-9-21(16)17/h2-3,6-9,11,14H,4-5,10H2,1H3.
What are the key properties of 3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 376.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 46445053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).