5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine

C21H19FN4O3S — CID 147051078

IUPAC5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cncc(S(C)(=O)=O)c2)c2nncn12
InChIInChI=1S/C21H19FN4O3S/c1-29-20-5-3-4-19(22)18(20)9-7-15-6-8-17(21-25-24-13-26(15)21)14-10-16(12-23-11-14)30(2,27)28/h3-6,8,10-13H,7,9H2,1-2H3
InChIKeyBBHWQSOYWFXOPJ-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.13
Rot. Bonds6

About 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 147051078) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID147051078
Molecular FormulaC21H19FN4O3S
Molecular Weight426.47 g/mol
Exact Mass426.12
IUPAC Name5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cncc(S(C)(=O)=O)c2)c2nncn12
InChIInChI=1S/C21H19FN4O3S/c1-29-20-5-3-4-19(22)18(20)9-7-15-6-8-17(21-25-24-13-26(15)21)14-10-16(12-23-11-14)30(2,27)28/h3-6,8,10-13H,7,9H2,1-2H3
InChIKeyBBHWQSOYWFXOPJ-UHFFFAOYSA-N
XLogP3.13
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[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

Darigabat
CID 76287260
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(3-methoxy-phenyl)-amine
CID 49838518
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-methoxy-phenyl)-amine
CID 57502381
Pyrazolopyrimidine derivative 40
CID 90794095
Pyrazolopyrimidine derivative 39
CID 91020834
Pyrazolopyrimidine 2
CID 9604948
2-[3-Difluoromethyl-5-(2-fluoro-4-methoxy-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10111401
2-[3-Difluoromethyl-5-(3-fluoro-4-methoxy-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10135415
2-[5-(3-Fluoro-4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10158760
2-[5-(2-Fluoro-4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10158761
5-Methanesulfonyl-2-[5-(4-methoxy-3-methyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-pyridine
CID 12972729
2-[3-Difluoromethyl-5-(4-methoxy-3-methyl-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 18624101

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 147051078) is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(F)c1CCc1ccc(-c2cncc(S(C)(=O)=O)c2)c2nncn12.
What is the InChIKey of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BBHWQSOYWFXOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/c1-29-20-5-3-4-19(22)18(20)9-7-15-6-8-17(21-25-24-13-26(15)21)14-10-16(12-23-11-14)30(2,27)28/h3-6,8,10-13H,7,9H2,1-2H3.
What are the key properties of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine?
5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 426.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 147051078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).