4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide

C22H23N7O4S — CID 90455293

IUPAC4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNCCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)NCCO)cc4)cnc3N)o2)cc1
InChIInChI=1S/C22H23N7O4S/c23-10-9-14-1-3-16(4-2-14)21-28-29-22(33-21)19-20(24)25-13-18(27-19)15-5-7-17(8-6-15)34(31,32)26-11-12-30/h1-8,13,26,30H,9-12,23H2,(H2,24,25)
InChIKeyQDABEPCISUVYDJ-UHFFFAOYSA-N
MW481.54 g/mol
LogP1.21
Rot. Bonds9

About 4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide

4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 90455293) has the molecular formula C22H23N7O4S and a molecular weight of 481.54 g/mol. Its IUPAC name is 4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID90455293
Molecular FormulaC22H23N7O4S
Molecular Weight481.54 g/mol
Exact Mass481.15
IUPAC Name4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNCCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)NCCO)cc4)cnc3N)o2)cc1
InChIInChI=1S/C22H23N7O4S/c23-10-9-14-1-3-16(4-2-14)21-28-29-22(33-21)19-20(24)25-13-18(27-19)15-5-7-17(8-6-15)34(31,32)26-11-12-30/h1-8,13,26,30H,9-12,23H2,(H2,24,25)
InChIKeyQDABEPCISUVYDJ-UHFFFAOYSA-N
XLogP1.21
TPSA183.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.54
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide 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 4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide (CID 90455293) is 4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide is NCCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)NCCO)cc4)cnc3N)o2)cc1.
What is the InChIKey of 4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is QDABEPCISUVYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O4S/c23-10-9-14-1-3-16(4-2-14)21-28-29-22(33-21)19-20(24)25-13-18(27-19)15-5-7-17(8-6-15)34(31,32)26-11-12-30/h1-8,13,26,30H,9-12,23H2,(H2,24,25).
What are the key properties of 4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 481.54 g/mol, XLogP of 1.21, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[5-[4-(2-aminoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 90455293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).