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

C17H10BrFN4O2 — CID 18677483

IUPAC[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone
SMILESNc1cc(C(=O)c2ccc(F)cc2)cc2nc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C17H10BrFN4O2/c18-13-6-5-12(25-13)17-21-15-8-10(7-14(20)23(15)22-17)16(24)9-1-3-11(19)4-2-9/h1-8H,20H2
InChIKeyFBHXEAYGWVQMGI-UHFFFAOYSA-N
MW401.20 g/mol
LogP3.70
Rot. Bonds3

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

[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone (PubChem CID 18677483) has the molecular formula C17H10BrFN4O2 and a molecular weight of 401.20 g/mol. Its IUPAC name is [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone
PubChem CID18677483
Molecular FormulaC17H10BrFN4O2
Molecular Weight401.20 g/mol
Exact Mass400.00
IUPAC Name[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone
SMILESNc1cc(C(=O)c2ccc(F)cc2)cc2nc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C17H10BrFN4O2/c18-13-6-5-12(25-13)17-21-15-8-10(7-14(20)23(15)22-17)16(24)9-1-3-11(19)4-2-9/h1-8H,20H2
InChIKeyFBHXEAYGWVQMGI-UHFFFAOYSA-N
XLogP3.70
TPSA86.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.20
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone (CID 18677483) is [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone is Nc1cc(C(=O)c2ccc(F)cc2)cc2nc(-c3ccc(Br)o3)nn12.
What is the InChIKey of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone?
The InChIKey is FBHXEAYGWVQMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrFN4O2/c18-13-6-5-12(25-13)17-21-15-8-10(7-14(20)23(15)22-17)16(24)9-1-3-11(19)4-2-9/h1-8H,20H2.
What are the key properties of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone?
[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone has a molecular weight of 401.20 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 18677483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).