N-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide

C15H10FN5O — CID 122540397

IUPACN-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(C#N)cc2F)n2ncnc2c1
InChIInChI=1S/C15H10FN5O/c1-9(22)20-11-5-14(21-15(6-11)18-8-19-21)12-3-2-10(7-17)4-13(12)16/h2-6,8H,1H3,(H,20,22)
InChIKeyJLBXPVLATDUNKH-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.37
Rot. Bonds2

About N-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide

N-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide (PubChem CID 122540397) has the molecular formula C15H10FN5O and a molecular weight of 295.28 g/mol. Its IUPAC name is N-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide
PubChem CID122540397
Molecular FormulaC15H10FN5O
Molecular Weight295.28 g/mol
Exact Mass295.09
IUPAC NameN-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(C#N)cc2F)n2ncnc2c1
InChIInChI=1S/C15H10FN5O/c1-9(22)20-11-5-14(21-15(6-11)18-8-19-21)12-3-2-10(7-17)4-13(12)16/h2-6,8H,1H3,(H,20,22)
InChIKeyJLBXPVLATDUNKH-UHFFFAOYSA-N
XLogP2.37
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide?
The IUPAC name of N-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide (CID 122540397) is N-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide.
What is the SMILES notation for N-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide?
The canonical SMILES for N-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide is CC(=O)Nc1cc(-c2ccc(C#N)cc2F)n2ncnc2c1.
What is the InChIKey of N-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide?
The InChIKey is JLBXPVLATDUNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O/c1-9(22)20-11-5-14(21-15(6-11)18-8-19-21)12-3-2-10(7-17)4-13(12)16/h2-6,8H,1H3,(H,20,22).
What are the key properties of N-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide?
N-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide has a molecular weight of 295.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyano-2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide is sourced from PubChem (CID 122540397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).