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

C16H16BrN5O2 — CID 10134958

IUPAC[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCCC2)cc2nc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C16H16BrN5O2/c17-12-5-4-11(24-12)15-19-14-9-10(8-13(18)22(14)20-15)16(23)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7,18H2
InChIKeyVWUDJZSWHLDCHS-UHFFFAOYSA-N
MW390.24 g/mol
LogP2.96
Rot. Bonds2

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

[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone (PubChem CID 10134958) has the molecular formula C16H16BrN5O2 and a molecular weight of 390.24 g/mol. Its IUPAC name is [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone
PubChem CID10134958
Molecular FormulaC16H16BrN5O2
Molecular Weight390.24 g/mol
Exact Mass389.05
IUPAC Name[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCCC2)cc2nc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C16H16BrN5O2/c17-12-5-4-11(24-12)15-19-14-9-10(8-13(18)22(14)20-15)16(23)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7,18H2
InChIKeyVWUDJZSWHLDCHS-UHFFFAOYSA-N
XLogP2.96
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 52.96
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]-piperidin-1-ylmethanone?
The IUPAC name of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone (CID 10134958) is [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-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]-piperidin-1-ylmethanone?
The canonical SMILES for [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone is Nc1cc(C(=O)N2CCCCC2)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]-piperidin-1-ylmethanone?
The InChIKey is VWUDJZSWHLDCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O2/c17-12-5-4-11(24-12)15-19-14-9-10(8-13(18)22(14)20-15)16(23)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7,18H2.
What are the key properties of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone?
[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-piperidin-1-ylmethanone has a molecular weight of 390.24 g/mol, XLogP of 2.96, 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 10134958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).