[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone

C16H16BrN5O2 — CID 10157187

IUPAC[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1
InChIInChI=1S/C16H16BrN5O2/c1-9-3-2-6-21(9)16(23)10-7-11(18)15-19-14(20-22(15)8-10)12-4-5-13(17)24-12/h4-5,7-9H,2-3,6,18H2,1H3
InChIKeyALQOAWMDMFFUJK-UHFFFAOYSA-N
MW390.24 g/mol
LogP2.96
Rot. Bonds2

About [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone

[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 10157187) has the molecular formula C16H16BrN5O2 and a molecular weight of 390.24 g/mol. Its IUPAC name is [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID10157187
Molecular FormulaC16H16BrN5O2
Molecular Weight390.24 g/mol
Exact Mass389.05
IUPAC Name[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1
InChIInChI=1S/C16H16BrN5O2/c1-9-3-2-6-21(9)16(23)10-7-11(18)15-19-14(20-22(15)8-10)12-4-5-13(17)24-12/h4-5,7-9H,2-3,6,18H2,1H3
InChIKeyALQOAWMDMFFUJK-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 [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone (CID 10157187) is [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1.
What is the InChIKey of [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is ALQOAWMDMFFUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O2/c1-9-3-2-6-21(9)16(23)10-7-11(18)15-19-14(20-22(15)8-10)12-4-5-13(17)24-12/h4-5,7-9H,2-3,6,18H2,1H3.
What are the key properties of [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone?
[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone 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 [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 10157187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).