2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide

C18H13BrN4O2S — CID 23559743

IUPAC2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
SMILESCOc1ccc(-c2cccs2)n2nc(NC(=O)c3ccccc3Br)nc12
InChIInChI=1S/C18H13BrN4O2S/c1-25-14-9-8-13(15-7-4-10-26-15)23-16(14)20-18(22-23)21-17(24)11-5-2-3-6-12(11)19/h2-10H,1H3,(H,21,22,24)
InChIKeyYQGNRCBLDLDRFX-UHFFFAOYSA-N
MW429.30 g/mol
LogP4.48
Rot. Bonds4

About 2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide

2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide (PubChem CID 23559743) has the molecular formula C18H13BrN4O2S and a molecular weight of 429.30 g/mol. Its IUPAC name is 2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
PubChem CID23559743
Molecular FormulaC18H13BrN4O2S
Molecular Weight429.30 g/mol
Exact Mass427.99
IUPAC Name2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
SMILESCOc1ccc(-c2cccs2)n2nc(NC(=O)c3ccccc3Br)nc12
InChIInChI=1S/C18H13BrN4O2S/c1-25-14-9-8-13(15-7-4-10-26-15)23-16(14)20-18(22-23)21-17(24)11-5-2-3-6-12(11)19/h2-10H,1H3,(H,21,22,24)
InChIKeyYQGNRCBLDLDRFX-UHFFFAOYSA-N
XLogP4.48
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
CID 23559749
2-bromo-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752831
(2-bromophenyl)-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone
CID 42731294
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
3-chloro-N-(8-methoxy-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide
CID 23559748
2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide
CID 7709568
2-bromo-N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]benzamide
CID 17176822
2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565677
2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4078289
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
CID 108752665
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxybenzamide
CID 108752948

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide?
The IUPAC name of 2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide (CID 23559743) is 2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide is COc1ccc(-c2cccs2)n2nc(NC(=O)c3ccccc3Br)nc12.
What is the InChIKey of 2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide?
The InChIKey is YQGNRCBLDLDRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O2S/c1-25-14-9-8-13(15-7-4-10-26-15)23-16(14)20-18(22-23)21-17(24)11-5-2-3-6-12(11)19/h2-10H,1H3,(H,21,22,24).
What are the key properties of 2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide?
2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide has a molecular weight of 429.30 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(8-methoxy-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzamide is sourced from PubChem (CID 23559743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).