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

C21H15FN4O2 — CID 22587537

IUPACN-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cccn3c(-c4ccccc4F)nnc23)cc1
InChIInChI=1S/C21H15FN4O2/c1-13(27)14-8-10-15(11-9-14)23-21(28)17-6-4-12-26-19(24-25-20(17)26)16-5-2-3-7-18(16)22/h2-12H,1H3,(H,23,28)
InChIKeyUVPOHQPSNPIROJ-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.99
Rot. Bonds4

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

N-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 22587537) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID22587537
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC NameN-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cccn3c(-c4ccccc4F)nnc23)cc1
InChIInChI=1S/C21H15FN4O2/c1-13(27)14-8-10-15(11-9-14)23-21(28)17-6-4-12-26-19(24-25-20(17)26)16-5-2-3-7-18(16)22/h2-12H,1H3,(H,23,28)
InChIKeyUVPOHQPSNPIROJ-UHFFFAOYSA-N
XLogP3.99
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 50812845
3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 50812843
N-(4-fluorophenyl)-2-[[2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 27942660
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
2-(azetidin-1-yl)-5-[3-(2,3-difluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 138736054
N-[4-[2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]benzamide
CID 46818032
N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 86764731
N-(4-acetylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109198907
N-(4-acetylphenyl)-6-[2-(2-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109121967
N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114241
N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide
CID 18207871
N-(3-aminophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 84614417

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 22587537) is N-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is CC(=O)c1ccc(NC(=O)c2cccn3c(-c4ccccc4F)nnc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is UVPOHQPSNPIROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c1-13(27)14-8-10-15(11-9-14)23-21(28)17-6-4-12-26-19(24-25-20(17)26)16-5-2-3-7-18(16)22/h2-12H,1H3,(H,23,28).
What are the key properties of N-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 374.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 22587537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).