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

C20H19BrN6O2 — CID 10297926

IUPAC8-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCCN(CCc1ccccn1)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1
InChIInChI=1S/C20H19BrN6O2/c1-2-26(10-8-14-5-3-4-9-23-14)20(28)13-11-15(22)19-24-18(25-27(19)12-13)16-6-7-17(21)29-16/h3-7,9,11-12H,2,8,10,22H2,1H3
InChIKeyINIVWEDKAZDPCZ-UHFFFAOYSA-N
MW455.32 g/mol
LogP3.43
Rot. Bonds6

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

8-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 10297926) has the molecular formula C20H19BrN6O2 and a molecular weight of 455.32 g/mol. Its IUPAC name is 8-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
PubChem CID10297926
Molecular FormulaC20H19BrN6O2
Molecular Weight455.32 g/mol
Exact Mass454.08
IUPAC Name8-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
SMILESCCN(CCc1ccccn1)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1
InChIInChI=1S/C20H19BrN6O2/c1-2-26(10-8-14-5-3-4-9-23-14)20(28)13-11-15(22)19-24-18(25-27(19)12-13)16-6-7-17(21)29-16/h3-7,9,11-12H,2,8,10,22H2,1H3
InChIKeyINIVWEDKAZDPCZ-UHFFFAOYSA-N
XLogP3.43
TPSA102.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 8-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide (CID 10297926) is 8-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 8-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is CCN(CCc1ccccn1)C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1.
What is the InChIKey of 8-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is INIVWEDKAZDPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN6O2/c1-2-26(10-8-14-5-3-4-9-23-14)20(28)13-11-15(22)19-24-18(25-27(19)12-13)16-6-7-17(21)29-16/h3-7,9,11-12H,2,8,10,22H2,1H3.
What are the key properties of 8-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide?
8-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 455.32 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 10297926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).