[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone

C18H20BrN5O2 — CID 10273494

IUPAC[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc(N)c3nc(-c4ccc(Br)o4)nn3c2)C1
InChIInChI=1S/C18H20BrN5O2/c1-10-5-11(2)8-23(7-10)18(25)12-6-13(20)17-21-16(22-24(17)9-12)14-3-4-15(19)26-14/h3-4,6,9-11H,5,7-8,20H2,1-2H3
InChIKeyVMKQFVIUGLZAGX-UHFFFAOYSA-N
MW418.30 g/mol
LogP3.45
Rot. Bonds2

About [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone

[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 10273494) has the molecular formula C18H20BrN5O2 and a molecular weight of 418.30 g/mol. Its IUPAC name is [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID10273494
Molecular FormulaC18H20BrN5O2
Molecular Weight418.30 g/mol
Exact Mass417.08
IUPAC Name[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc(N)c3nc(-c4ccc(Br)o4)nn3c2)C1
InChIInChI=1S/C18H20BrN5O2/c1-10-5-11(2)8-23(7-10)18(25)12-6-13(20)17-21-16(22-24(17)9-12)14-3-4-15(19)26-14/h3-4,6,9-11H,5,7-8,20H2,1-2H3
InChIKeyVMKQFVIUGLZAGX-UHFFFAOYSA-N
XLogP3.45
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)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 [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone (CID 10273494) is [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2cc(N)c3nc(-c4ccc(Br)o4)nn3c2)C1.
What is the InChIKey of [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is VMKQFVIUGLZAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O2/c1-10-5-11(2)8-23(7-10)18(25)12-6-13(20)17-21-16(22-24(17)9-12)14-3-4-15(19)26-14/h3-4,6,9-11H,5,7-8,20H2,1-2H3.
What are the key properties of [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 418.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 10273494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).