3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C21H17FN4O2 — CID 50812843

IUPAC3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cccn2c(-c3ccccc3F)nnc12
InChIInChI=1S/C21H17FN4O2/c1-28-18-11-5-2-7-14(18)13-23-21(27)16-9-6-12-26-19(24-25-20(16)26)15-8-3-4-10-17(15)22/h2-12H,13H2,1H3,(H,23,27)
InChIKeyJHEHZGLMHQMDDF-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.47
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 50812843) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID50812843
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cccn2c(-c3ccccc3F)nnc12
InChIInChI=1S/C21H17FN4O2/c1-28-18-11-5-2-7-14(18)13-23-21(27)16-9-6-12-26-19(24-25-20(16)26)15-8-3-4-10-17(15)22/h2-12H,13H2,1H3,(H,23,27)
InChIKeyJHEHZGLMHQMDDF-UHFFFAOYSA-N
XLogP3.47
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[(2-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62648542
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
N-[(2-fluorophenyl)methyl]-2,3-dimethoxybenzamide
CID 17068329
3-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 82786350
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367467
N-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 110704366
[2-[(2-methoxyphenyl)methylcarbamoyl]phenyl] acetate
CID 3362065
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783219

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 50812843) is 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is COc1ccccc1CNC(=O)c1cccn2c(-c3ccccc3F)nnc12.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is JHEHZGLMHQMDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-28-18-11-5-2-7-14(18)13-23-21(27)16-9-6-12-26-19(24-25-20(16)26)15-8-3-4-10-17(15)22/h2-12H,13H2,1H3,(H,23,27).
What are the key properties of 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 50812843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).