3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine

C18H19FN4O4S — CID 46595834

IUPAC3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(F)c(S(=O)(=O)N2CCCC2c2nnc3ccccn23)cc1OC
InChIInChI=1S/C18H19FN4O4S/c1-26-14-10-12(19)16(11-15(14)27-2)28(24,25)23-9-5-6-13(23)18-21-20-17-7-3-4-8-22(17)18/h3-4,7-8,10-11,13H,5-6,9H2,1-2H3
InChIKeyVIRBMXPABIFWKI-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.41
Rot. Bonds5

About 3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 46595834) has the molecular formula C18H19FN4O4S and a molecular weight of 406.44 g/mol. Its IUPAC name is 3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID46595834
Molecular FormulaC18H19FN4O4S
Molecular Weight406.44 g/mol
Exact Mass406.11
IUPAC Name3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(F)c(S(=O)(=O)N2CCCC2c2nnc3ccccn23)cc1OC
InChIInChI=1S/C18H19FN4O4S/c1-26-14-10-12(19)16(11-15(14)27-2)28(24,25)23-9-5-6-13(23)18-21-20-17-7-3-4-8-22(17)18/h3-4,7-8,10-11,13H,5-6,9H2,1-2H3
InChIKeyVIRBMXPABIFWKI-UHFFFAOYSA-N
XLogP2.41
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46445053
3-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 24511385
3-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46667151
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
3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46452501
3-[1-(2,3-dimethyl-5-nitrophenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 46650064
3-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 42649946
3-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 47019510
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-methoxy-4-propan-2-yloxyphenyl)-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 51925753
3-[(2R)-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 95832965

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 46595834) is 3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is COc1cc(F)c(S(=O)(=O)N2CCCC2c2nnc3ccccn23)cc1OC.
What is the InChIKey of 3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VIRBMXPABIFWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4S/c1-26-14-10-12(19)16(11-15(14)27-2)28(24,25)23-9-5-6-13(23)18-21-20-17-7-3-4-8-22(17)18/h3-4,7-8,10-11,13H,5-6,9H2,1-2H3.
What are the key properties of 3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 406.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 46595834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).