2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

C17H17FN6O2 — CID 82555592

IUPAC2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESNc1nc2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)O)n2n1
InChIInChI=1S/C17H17FN6O2/c18-11-1-3-12(4-2-11)22-7-9-23(10-8-22)13-5-6-14-20-17(19)21-24(14)15(13)16(25)26/h1-6H,7-10H2,(H2,19,21)(H,25,26)
InChIKeyFFTBERGWCNXWPY-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.48
Rot. Bonds3

About 2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82555592) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82555592
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC Name2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESNc1nc2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)O)n2n1
InChIInChI=1S/C17H17FN6O2/c18-11-1-3-12(4-2-11)22-7-9-23(10-8-22)13-5-6-14-20-17(19)21-24(14)15(13)16(25)26/h1-6H,7-10H2,(H2,19,21)(H,25,26)
InChIKeyFFTBERGWCNXWPY-UHFFFAOYSA-N
XLogP1.48
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82555592) is 2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is Nc1nc2ccc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)O)n2n1.
What is the InChIKey of 2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is FFTBERGWCNXWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c18-11-1-3-12(4-2-11)22-7-9-23(10-8-22)13-5-6-14-20-17(19)21-24(14)15(13)16(25)26/h1-6H,7-10H2,(H2,19,21)(H,25,26).
What are the key properties of 2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 356.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82555592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).