N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C20H15FN4O3S — CID 166571517

IUPACN-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(F)c2)cc1)c1ccc2nncn2c1
InChIInChI=1S/C20H15FN4O3S/c21-16-2-1-3-18(10-16)29(27,28)17-7-4-14(5-8-17)11-22-20(26)15-6-9-19-24-23-13-25(19)12-15/h1-10,12-13H,11H2,(H,22,26)
InChIKeyUIELYOAJFGBZEF-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.63
Rot. Bonds5

About N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 166571517) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID166571517
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC NameN-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cccc(F)c2)cc1)c1ccc2nncn2c1
InChIInChI=1S/C20H15FN4O3S/c21-16-2-1-3-18(10-16)29(27,28)17-7-4-14(5-8-17)11-22-20(26)15-6-9-19-24-23-13-25(19)12-15/h1-10,12-13H,11H2,(H,22,26)
InChIKeyUIELYOAJFGBZEF-UHFFFAOYSA-N
XLogP2.63
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166180288
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182410
N-[[4-(2-methoxyethoxymethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166215287
N-[[4-(2-amino-2-iminoethyl)-3-fluorophenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 164621434
4-(benzenesulfonyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)benzamide
CID 66614342
N-[[4-[[6-(trifluoromethyl)-2-pyridinyl]sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66610408
N-[1-(3-fluorophenoxy)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 56822521
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182442
N-[[4-[(2-propan-2-ylazetidin-1-yl)methyl]phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 164612204
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111565594

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 166571517) is N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cccc(F)c2)cc1)c1ccc2nncn2c1.
What is the InChIKey of N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is UIELYOAJFGBZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c21-16-2-1-3-18(10-16)29(27,28)17-7-4-14(5-8-17)11-22-20(26)15-6-9-19-24-23-13-25(19)12-15/h1-10,12-13H,11H2,(H,22,26).
What are the key properties of N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)sulfonylphenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 166571517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).