4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C23H23FN6O4S — CID 20960975

IUPAC4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCCc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1
InChIInChI=1S/C23H23FN6O4S/c24-17-3-1-4-18(15-17)29-13-14-30-20(27-28-22(30)23(29)32)5-2-6-21(31)26-12-11-16-7-9-19(10-8-16)35(25,33)34/h1,3-4,7-10,13-15H,2,5-6,11-12H2,(H,26,31)(H2,25,33,34)
InChIKeyNDZBYKVCPLNQLK-UHFFFAOYSA-N
MW498.54 g/mol
LogP1.35
Rot. Bonds9

About 4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 20960975) has the molecular formula C23H23FN6O4S and a molecular weight of 498.54 g/mol. Its IUPAC name is 4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID20960975
Molecular FormulaC23H23FN6O4S
Molecular Weight498.54 g/mol
Exact Mass498.15
IUPAC Name4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCCc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1
InChIInChI=1S/C23H23FN6O4S/c24-17-3-1-4-18(15-17)29-13-14-30-20(27-28-22(30)23(29)32)5-2-6-21(31)26-12-11-16-7-9-19(10-8-16)35(25,33)34/h1,3-4,7-10,13-15H,2,5-6,11-12H2,(H,26,31)(H2,25,33,34)
InChIKeyNDZBYKVCPLNQLK-UHFFFAOYSA-N
XLogP1.35
TPSA141.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide 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

3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-(3-phenylpropyl)propanamide
CID 46341246
N-(3,5-dimethylphenyl)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
CID 46346128
N-(1,3-benzodioxol-5-ylmethyl)-3-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]propanamide
CID 20949065
4-[2-[[4-(3-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 8721605
(3R)-N-benzyl-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methylbutanamide
CID 94079610
(3R)-4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-3-methyl-N-propan-2-ylbutanamide
CID 94079642
4-[7-(3,5-dimethylphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 50795999
4-[7-(4-chlorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 16824656
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 16885019
4-(diaminomethylideneamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 118707446
N-[(3,4-dimethoxyphenyl)methyl]-4-[7-(4-ethoxyphenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]butanamide
CID 50795893

Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 20960975) is 4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is NS(=O)(=O)c1ccc(CCNC(=O)CCCc2nnc3c(=O)n(-c4cccc(F)c4)ccn23)cc1.
What is the InChIKey of 4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is NDZBYKVCPLNQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O4S/c24-17-3-1-4-18(15-17)29-13-14-30-20(27-28-22(30)23(29)32)5-2-6-21(31)26-12-11-16-7-9-19(10-8-16)35(25,33)34/h1,3-4,7-10,13-15H,2,5-6,11-12H2,(H,26,31)(H2,25,33,34).
What are the key properties of 4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 498.54 g/mol, XLogP of 1.35, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-fluorophenyl)-8-oxo-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 20960975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).