5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C20H19BrN6O2 — CID 10161370

IUPAC5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCCN(CCc1ccccn1)C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1
InChIInChI=1S/C20H19BrN6O2/c1-2-26(10-8-14-5-3-4-9-23-14)20(28)13-11-17(22)27-18(12-13)24-19(25-27)15-6-7-16(21)29-15/h3-7,9,11-12H,2,8,10,22H2,1H3
InChIKeyRYWUMSBDUIMJQE-UHFFFAOYSA-N
MW455.32 g/mol
LogP3.43
Rot. Bonds6

About 5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 10161370) has the molecular formula C20H19BrN6O2 and a molecular weight of 455.32 g/mol. Its IUPAC name is 5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID10161370
Molecular FormulaC20H19BrN6O2
Molecular Weight455.32 g/mol
Exact Mass454.08
IUPAC Name5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCCN(CCc1ccccn1)C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1
InChIInChI=1S/C20H19BrN6O2/c1-2-26(10-8-14-5-3-4-9-23-14)20(28)13-11-17(22)27-18(12-13)24-19(25-27)15-6-7-16(21)29-15/h3-7,9,11-12H,2,8,10,22H2,1H3
InChIKeyRYWUMSBDUIMJQE-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 5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 10161370) is 5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is CCN(CCc1ccccn1)C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1.
What is the InChIKey of 5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is RYWUMSBDUIMJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN6O2/c1-2-26(10-8-14-5-3-4-9-23-14)20(28)13-11-17(22)27-18(12-13)24-19(25-27)15-6-7-16(21)29-15/h3-7,9,11-12H,2,8,10,22H2,1H3.
What are the key properties of 5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-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 5-amino-2-(5-bromofuran-2-yl)-N-ethyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 10161370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).