1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide

C21H25BrN6O3 — CID 10117199

IUPAC1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2cc(N)c3nc(-c4ccc(Br)o4)nn3c2)C1
InChIInChI=1S/C21H25BrN6O3/c1-3-26(4-2)20(29)13-6-5-9-27(11-13)21(30)14-10-15(23)19-24-18(25-28(19)12-14)16-7-8-17(22)31-16/h7-8,10,12-13H,3-6,9,11,23H2,1-2H3
InChIKeyBQRGSPQJKCXBSD-UHFFFAOYSA-N
MW489.37 g/mol
LogP3.05
Rot. Bonds5

About 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide

1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 10117199) has the molecular formula C21H25BrN6O3 and a molecular weight of 489.37 g/mol. Its IUPAC name is 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID10117199
Molecular FormulaC21H25BrN6O3
Molecular Weight489.37 g/mol
Exact Mass488.12
IUPAC Name1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2cc(N)c3nc(-c4ccc(Br)o4)nn3c2)C1
InChIInChI=1S/C21H25BrN6O3/c1-3-26(4-2)20(29)13-6-5-9-27(11-13)21(30)14-10-15(23)19-24-18(25-28(19)12-14)16-7-8-17(22)31-16/h7-8,10,12-13H,3-6,9,11,23H2,1-2H3
InChIKeyBQRGSPQJKCXBSD-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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Related Compounds

8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid butylamide
CID 11652346
5-Amino-8-(furan-2-yl)-1-methyl-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-2-one
CID 56943869
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-pyridin-3-ylurea
CID 11545273
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-pyridin-3-ylurea;hydrochloride
CID 11683024
5-amino-2-(5-bromofuran-2-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 9823491
[8-Amino-2-(5-methyl-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-yl-methanone
CID 9901296
(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-yl-methanone
CID 9944058
[8-Amino-2-(5-methyl-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-yl-methanone
CID 9945155
5-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 9969880
5-amino-2-(5-bromofuran-2-yl)-N,N-diethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 9969881
[8-Amino-2-(5-bromo-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-yl-methanone
CID 10110033
8-amino-2-(5-bromofuran-2-yl)-N-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 10110171

Frequently Asked Questions

What is the IUPAC name of 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide (CID 10117199) is 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C(=O)c2cc(N)c3nc(-c4ccc(Br)o4)nn3c2)C1.
What is the InChIKey of 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is BQRGSPQJKCXBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN6O3/c1-3-26(4-2)20(29)13-6-5-9-27(11-13)21(30)14-10-15(23)19-24-18(25-28(19)12-14)16-7-8-17(22)31-16/h7-8,10,12-13H,3-6,9,11,23H2,1-2H3.
What are the key properties of 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-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-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 10117199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).