ethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate

C20H22N6O5 — CID 53142430

IUPACethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cn1nc2c(N3CCOCC3)nccn2c1=O
InChIInChI=1S/C20H22N6O5/c1-2-31-19(28)14-5-3-4-6-15(14)22-16(27)13-26-20(29)25-8-7-21-17(18(25)23-26)24-9-11-30-12-10-24/h3-8H,2,9-13H2,1H3,(H,22,27)
InChIKeyQAPWSOVBHUOYDO-UHFFFAOYSA-N
MW426.43 g/mol
LogP0.54
Rot. Bonds6

About ethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate

ethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate (PubChem CID 53142430) has the molecular formula C20H22N6O5 and a molecular weight of 426.43 g/mol. Its IUPAC name is ethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate
PubChem CID53142430
Molecular FormulaC20H22N6O5
Molecular Weight426.43 g/mol
Exact Mass426.17
IUPAC Nameethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Cn1nc2c(N3CCOCC3)nccn2c1=O
InChIInChI=1S/C20H22N6O5/c1-2-31-19(28)14-5-3-4-6-15(14)22-16(27)13-26-20(29)25-8-7-21-17(18(25)23-26)24-9-11-30-12-10-24/h3-8H,2,9-13H2,1H3,(H,22,27)
InChIKeyQAPWSOVBHUOYDO-UHFFFAOYSA-N
XLogP0.54
TPSA120.06 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-ethylphenyl)-2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53142493
2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 95919911
N-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787725
N-(5-fluoro-2-methylphenyl)-2-(3-oxo-8-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetamide
CID 53142428
ethyl 2-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]benzoate
CID 109228723
ethyl 2-[[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)acetyl]amino]benzoate
CID 90542475
ethyl 2-[(2-morpholin-4-ylacetyl)amino]pyridine-3-carboxylate
CID 110444216
ethyl 2-[[2-(4-cyclopropyl-5-oxo-3-pyridin-3-yl-1,2,4-triazol-1-yl)acetyl]amino]benzoate
CID 121116875
methyl 2-[8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetate
CID 95919968
N-(2,4-dimethylphenyl)-2-[8-[(3S)-3-methylpiperidin-1-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 94215702
N-(2,4-difluorophenyl)-2-[8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53142388
2-[3-oxo-8-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53142512

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate (CID 53142430) is ethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)Cn1nc2c(N3CCOCC3)nccn2c1=O.
What is the InChIKey of ethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate?
The InChIKey is QAPWSOVBHUOYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O5/c1-2-31-19(28)14-5-3-4-6-15(14)22-16(27)13-26-20(29)25-8-7-21-17(18(25)23-26)24-9-11-30-12-10-24/h3-8H,2,9-13H2,1H3,(H,22,27).
What are the key properties of ethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate?
ethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate has a molecular weight of 426.43 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate is sourced from PubChem (CID 53142430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).