5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide

C16H11BrN4O2 — CID 46429675

IUPAC5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C16H11BrN4O2/c17-11-4-5-12-10(7-11)8-13(23-12)16(22)18-9-15-20-19-14-3-1-2-6-21(14)15/h1-8H,9H2,(H,18,22)
InChIKeyITHPZMOROFOTHH-UHFFFAOYSA-N
MW371.19 g/mol
LogP3.17
Rot. Bonds3

About 5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide

5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 46429675) has the molecular formula C16H11BrN4O2 and a molecular weight of 371.19 g/mol. Its IUPAC name is 5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID46429675
Molecular FormulaC16H11BrN4O2
Molecular Weight371.19 g/mol
Exact Mass370.01
IUPAC Name5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C16H11BrN4O2/c17-11-4-5-12-10(7-11)8-13(23-12)16(22)18-9-15-20-19-14-3-1-2-6-21(14)15/h1-8H,9H2,(H,18,22)
InChIKeyITHPZMOROFOTHH-UHFFFAOYSA-N
XLogP3.17
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)furan-2-carboxamide
CID 30138650
2-(4-bromophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021038
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
3-bromo-5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 104852495
2-(4-bromophenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021117
2-(3-aminophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 65349831
(2S)-2-amino-2-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 104897648
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688186
2-(4-bromo-2-methylphenyl)sulfanyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021035
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119494957
2-bromo-6-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 115678518
5-methyl-2-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 9360964

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide (CID 46429675) is 5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide is O=C(NCc1nnc2ccccn12)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ITHPZMOROFOTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O2/c17-11-4-5-12-10(7-11)8-13(23-12)16(22)18-9-15-20-19-14-3-1-2-6-21(14)15/h1-8H,9H2,(H,18,22).
What are the key properties of 5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide?
5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 371.19 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46429675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).