2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

C16H10BrFN4O — CID 18313698

IUPAC2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cc(-c2ccc(F)cc2)cc2nc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C16H10BrFN4O/c17-13-6-5-12(23-13)16-20-15-8-10(7-14(19)22(15)21-16)9-1-3-11(18)4-2-9/h1-8H,19H2
InChIKeyZDYYGYFXVFNQFT-UHFFFAOYSA-N
MW373.19 g/mol
LogP4.14
Rot. Bonds2

About 2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine

2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (PubChem CID 18313698) has the molecular formula C16H10BrFN4O and a molecular weight of 373.19 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
PubChem CID18313698
Molecular FormulaC16H10BrFN4O
Molecular Weight373.19 g/mol
Exact Mass372.00
IUPAC Name2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
SMILESNc1cc(-c2ccc(F)cc2)cc2nc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C16H10BrFN4O/c17-13-6-5-12(23-13)16-20-15-8-10(7-14(19)22(15)21-16)9-1-3-11(18)4-2-9/h1-8H,19H2
InChIKeyZDYYGYFXVFNQFT-UHFFFAOYSA-N
XLogP4.14
TPSA69.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine (CID 18313698) is 2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is Nc1cc(-c2ccc(F)cc2)cc2nc(-c3ccc(Br)o3)nn12.
What is the InChIKey of 2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
The InChIKey is ZDYYGYFXVFNQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrFN4O/c17-13-6-5-12(23-13)16-20-15-8-10(7-14(19)22(15)21-16)9-1-3-11(18)4-2-9/h1-8H,19H2.
What are the key properties of 2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine?
2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine has a molecular weight of 373.19 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 18313698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).