N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

C25H27N7O2 — CID 53142493

IUPACN-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1nc2c(N3CCN(c4ccccc4)CC3)nccn2c1=O
InChIInChI=1S/C25H27N7O2/c1-2-19-8-6-7-11-21(19)27-22(33)18-32-25(34)31-13-12-26-23(24(31)28-32)30-16-14-29(15-17-30)20-9-4-3-5-10-20/h3-13H,2,14-18H2,1H3,(H,27,33)
InChIKeyUYFPUDNBHJIYDH-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.42
Rot. Bonds6

About N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (PubChem CID 53142493) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
PubChem CID53142493
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC NameN-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1nc2c(N3CCN(c4ccccc4)CC3)nccn2c1=O
InChIInChI=1S/C25H27N7O2/c1-2-19-8-6-7-11-21(19)27-22(33)18-32-25(34)31-13-12-26-23(24(31)28-32)30-16-14-29(15-17-30)20-9-4-3-5-10-20/h3-13H,2,14-18H2,1H3,(H,27,33)
InChIKeyUYFPUDNBHJIYDH-UHFFFAOYSA-N
XLogP2.42
TPSA87.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (CID 53142493) is N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is CCc1ccccc1NC(=O)Cn1nc2c(N3CCN(c4ccccc4)CC3)nccn2c1=O.
What is the InChIKey of N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
The InChIKey is UYFPUDNBHJIYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-2-19-8-6-7-11-21(19)27-22(33)18-32-25(34)31-13-12-26-23(24(31)28-32)30-16-14-29(15-17-30)20-9-4-3-5-10-20/h3-13H,2,14-18H2,1H3,(H,27,33).
What are the key properties of N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide has a molecular weight of 457.54 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 53142493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).