5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C24H23N5O2 — CID 70832218

IUPAC5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN(C)CCOc1ccc(Nc2nc3cccc(-c4ccc5occc5c4)n3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-28(2)13-15-30-20-9-7-19(8-10-20)25-24-26-23-5-3-4-21(29(23)27-24)17-6-11-22-18(16-17)12-14-31-22/h3-12,14,16H,13,15H2,1-2H3,(H,25,27)
InChIKeyUEBDHQICVPQNNG-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.83
Rot. Bonds7

About 5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 70832218) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID70832218
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN(C)CCOc1ccc(Nc2nc3cccc(-c4ccc5occc5c4)n3n2)cc1
InChIInChI=1S/C24H23N5O2/c1-28(2)13-15-30-20-9-7-19(8-10-20)25-24-26-23-5-3-4-21(29(23)27-24)17-6-11-22-18(16-17)12-14-31-22/h3-12,14,16H,13,15H2,1-2H3,(H,25,27)
InChIKeyUEBDHQICVPQNNG-UHFFFAOYSA-N
XLogP4.83
TPSA67.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 70832218) is 5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CN(C)CCOc1ccc(Nc2nc3cccc(-c4ccc5occc5c4)n3n2)cc1.
What is the InChIKey of 5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is UEBDHQICVPQNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-28(2)13-15-30-20-9-7-19(8-10-20)25-24-26-23-5-3-4-21(29(23)27-24)17-6-11-22-18(16-17)12-14-31-22/h3-12,14,16H,13,15H2,1-2H3,(H,25,27).
What are the key properties of 5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 413.48 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-5-yl)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 70832218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).