1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide

C21H25BrN6O3 — CID 10206584

IUPAC1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2cc(N)n3nc(-c4ccc(Br)o4)nc3c2)C1
InChIInChI=1S/C21H25BrN6O3/c1-3-26(4-2)20(29)13-6-5-9-27(12-13)21(30)14-10-17(23)28-18(11-14)24-19(25-28)15-7-8-16(22)31-15/h7-8,10-11,13H,3-6,9,12,23H2,1-2H3
InChIKeyLQZAHZGFSYNUER-UHFFFAOYSA-N
MW489.37 g/mol
LogP3.05
Rot. Bonds5

About 1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide

1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 10206584) has the molecular formula C21H25BrN6O3 and a molecular weight of 489.37 g/mol. Its IUPAC name is 1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID10206584
Molecular FormulaC21H25BrN6O3
Molecular Weight489.37 g/mol
Exact Mass488.12
IUPAC Name1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2cc(N)n3nc(-c4ccc(Br)o4)nc3c2)C1
InChIInChI=1S/C21H25BrN6O3/c1-3-26(4-2)20(29)13-6-5-9-27(12-13)21(30)14-10-17(23)28-18(11-14)24-19(25-28)15-7-8-16(22)31-15/h7-8,10-11,13H,3-6,9,12,23H2,1-2H3
InChIKeyLQZAHZGFSYNUER-UHFFFAOYSA-N
XLogP3.05
TPSA109.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide (CID 10206584) is 1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C(=O)c2cc(N)n3nc(-c4ccc(Br)o4)nc3c2)C1.
What is the InChIKey of 1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is LQZAHZGFSYNUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN6O3/c1-3-26(4-2)20(29)13-6-5-9-27(12-13)21(30)14-10-17(23)28-18(11-14)24-19(25-28)15-7-8-16(22)31-15/h7-8,10-11,13H,3-6,9,12,23H2,1-2H3.
What are the key properties of 1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 489.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbonyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 10206584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).