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

C17H18BrN5O2 — CID 10135831

IUPAC[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1
InChIInChI=1S/C17H18BrN5O2/c1-10-4-2-3-7-22(10)17(24)11-8-12(19)16-20-15(21-23(16)9-11)13-5-6-14(18)25-13/h5-6,8-10H,2-4,7,19H2,1H3
InChIKeyPECRJJWHKHDVOH-UHFFFAOYSA-N
MW404.27 g/mol
LogP3.35
Rot. Bonds2

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

[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 10135831) has the molecular formula C17H18BrN5O2 and a molecular weight of 404.27 g/mol. Its IUPAC name is [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpiperidin-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-methylpiperidin-1-yl)methanone
PubChem CID10135831
Molecular FormulaC17H18BrN5O2
Molecular Weight404.27 g/mol
Exact Mass403.06
IUPAC Name[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1
InChIInChI=1S/C17H18BrN5O2/c1-10-4-2-3-7-22(10)17(24)11-8-12(19)16-20-15(21-23(16)9-11)13-5-6-14(18)25-13/h5-6,8-10H,2-4,7,19H2,1H3
InChIKeyPECRJJWHKHDVOH-UHFFFAOYSA-N
XLogP3.35
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.35
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-methylpiperidin-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-methylpiperidin-1-yl)methanone (CID 10135831) is [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpiperidin-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-methylpiperidin-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-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=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-methylpiperidin-1-yl)methanone?
The InChIKey is PECRJJWHKHDVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O2/c1-10-4-2-3-7-22(10)17(24)11-8-12(19)16-20-15(21-23(16)9-11)13-5-6-14(18)25-13/h5-6,8-10H,2-4,7,19H2,1H3.
What are the key properties of [8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpiperidin-1-yl)methanone?
[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 404.27 g/mol, XLogP of 3.35, 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-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 10135831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).