8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

C20H18BrN5O2 — CID 10225240

IUPAC8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1
InChIInChI=1S/C20H18BrN5O2/c1-25(10-9-13-5-3-2-4-6-13)20(27)14-11-15(22)19-23-18(24-26(19)12-14)16-7-8-17(21)28-16/h2-8,11-12H,9-10,22H2,1H3
InChIKeyVKKPJYXECVYOOR-UHFFFAOYSA-N
MW440.30 g/mol
LogP3.65
Rot. Bonds5

About 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide

8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 10225240) has the molecular formula C20H18BrN5O2 and a molecular weight of 440.30 g/mol. Its IUPAC name is 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID10225240
Molecular FormulaC20H18BrN5O2
Molecular Weight440.30 g/mol
Exact Mass439.06
IUPAC Name8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1
InChIInChI=1S/C20H18BrN5O2/c1-25(10-9-13-5-3-2-4-6-13)20(27)14-11-15(22)19-23-18(24-26(19)12-14)16-7-8-17(21)28-16/h2-8,11-12H,9-10,22H2,1H3
InChIKeyVKKPJYXECVYOOR-UHFFFAOYSA-N
XLogP3.65
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 10225240) is 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is CN(CCc1ccccc1)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1.
What is the InChIKey of 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is VKKPJYXECVYOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN5O2/c1-25(10-9-13-5-3-2-4-6-13)20(27)14-11-15(22)19-23-18(24-26(19)12-14)16-7-8-17(21)28-16/h2-8,11-12H,9-10,22H2,1H3.
What are the key properties of 8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 440.30 g/mol, XLogP of 3.65, 5 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)-N-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 10225240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).