5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C18H14BrN5OS — CID 23552537

IUPAC5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESNc1cc(C(=O)NCc2ccccc2Br)cc2nc(-c3cccs3)nn12
InChIInChI=1S/C18H14BrN5OS/c19-13-5-2-1-4-11(13)10-21-18(25)12-8-15(20)24-16(9-12)22-17(23-24)14-6-3-7-26-14/h1-9H,10,20H2,(H,21,25)
InChIKeyVEPULOBTUOBMRE-UHFFFAOYSA-N
MW428.32 g/mol
LogP3.73
Rot. Bonds4

About 5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 23552537) has the molecular formula C18H14BrN5OS and a molecular weight of 428.32 g/mol. Its IUPAC name is 5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID23552537
Molecular FormulaC18H14BrN5OS
Molecular Weight428.32 g/mol
Exact Mass427.01
IUPAC Name5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESNc1cc(C(=O)NCc2ccccc2Br)cc2nc(-c3cccs3)nn12
InChIInChI=1S/C18H14BrN5OS/c19-13-5-2-1-4-11(13)10-21-18(25)12-8-15(20)24-16(9-12)22-17(23-24)14-6-3-7-26-14/h1-9H,10,20H2,(H,21,25)
InChIKeyVEPULOBTUOBMRE-UHFFFAOYSA-N
XLogP3.73
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 23552537) is 5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is Nc1cc(C(=O)NCc2ccccc2Br)cc2nc(-c3cccs3)nn12.
What is the InChIKey of 5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is VEPULOBTUOBMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5OS/c19-13-5-2-1-4-11(13)10-21-18(25)12-8-15(20)24-16(9-12)22-17(23-24)14-6-3-7-26-14/h1-9H,10,20H2,(H,21,25).
What are the key properties of 5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 428.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-bromophenyl)methyl]-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 23552537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).