[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone

C15H14BrN5O2 — CID 10270860

IUPAC[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCC2)cc2nc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C15H14BrN5O2/c16-11-4-3-10(23-11)14-18-13-8-9(7-12(17)21(13)19-14)15(22)20-5-1-2-6-20/h3-4,7-8H,1-2,5-6,17H2
InChIKeyVVRYFSHYYXQKHO-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.57
Rot. Bonds2

About [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone

[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone (PubChem CID 10270860) has the molecular formula C15H14BrN5O2 and a molecular weight of 376.21 g/mol. Its IUPAC name is [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone
PubChem CID10270860
Molecular FormulaC15H14BrN5O2
Molecular Weight376.21 g/mol
Exact Mass375.03
IUPAC Name[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCC2)cc2nc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C15H14BrN5O2/c16-11-4-3-10(23-11)14-18-13-8-9(7-12(17)21(13)19-14)15(22)20-5-1-2-6-20/h3-4,7-8H,1-2,5-6,17H2
InChIKeyVVRYFSHYYXQKHO-UHFFFAOYSA-N
XLogP2.57
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone (CID 10270860) is [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone is Nc1cc(C(=O)N2CCCC2)cc2nc(-c3ccc(Br)o3)nn12.
What is the InChIKey of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VVRYFSHYYXQKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O2/c16-11-4-3-10(23-11)14-18-13-8-9(7-12(17)21(13)19-14)15(22)20-5-1-2-6-20/h3-4,7-8H,1-2,5-6,17H2.
What are the key properties of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone?
[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 376.21 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10270860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).