2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(1,2,4-oxadiazol-3-yl)-7-(1,3,4-oxadiazol-2-yl)-8-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyrimidin-2-yl-5-(1,2,4-thiadiazol-3-yl)-4a-(1,3,4-thiadiazol-2-yl)-6-(thiadiazol-4-yl)-7-(1,3-thiazol-2-yl)-8a-(1H-1,2,4-triazol-3-yl)-8-(1H-triazol-4-yl)chromen-4-one

C54H30N30O6S4 — CID 175215292

About 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(1,2,4-oxadiazol-3-yl)-7-(1,3,4-oxadiazol-2-yl)-8-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyrimidin-2-yl-5-(1,2,4-thiadiazol-3-yl)-4a-(1,3,4-thiadiazol-2-yl)-6-(thiadiazol-4-yl)-7-(1,3-thiazol-2-yl)-8a-(1H-1,2,4-triazol-3-yl)-8-(1H-triazol-4-yl)chromen-4-one

2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(1,2,4-oxadiazol-3-yl)-7-(1,3,4-oxadiazol-2-yl)-8-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyrimidin-2-yl-5-(1,2,4-thiadiazol-3-yl)-4a-(1,3,4-thiadiazol-2-yl)-6-(thiadiazol-4-yl)-7-(1,3-thiazol-2-yl)-8a-(1H-1,2,4-triazol-3-yl)-8-(1H-triazol-4-yl)chromen-4-one (PubChem CID 175215292) has the molecular formula C54H30N30O6S4 and a molecular weight of 1323.31 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(1,2,4-oxadiazol-3-yl)-7-(1,3,4-oxadiazol-2-yl)-8-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyrimidin-2-yl-5-(1,2,4-thiadiazol-3-yl)-4a-(1,3,4-thiadiazol-2-yl)-6-(thiadiazol-4-yl)-7-(1,3-thiazol-2-yl)-8a-(1H-1,2,4-triazol-3-yl)-8-(1H-triazol-4-yl)chromen-4-one.

Molecular Properties

• Compound Name: 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(1,2,4-oxadiazol-3-yl)-7-(1,3,4-oxadiazol-2-yl)-8-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyrimidin-2-yl-5-(1,2,4-thiadiazol-3-yl)-4a-(1,3,4-thiadiazol-2-yl)-6-(thiadiazol-4-yl)-7-(1,3-thiazol-2-yl)-8a-(1H-1,2,4-triazol-3-yl)-8-(1H-triazol-4-yl)chromen-4-one
• PubChem CID: 175215292
• Molecular Formula: C54H30N30O6S4
• Molecular Weight: 1323.31 g/mol
• Exact Mass: 1322.18
• IUPAC Name: 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(1,2,4-oxadiazol-3-yl)-7-(1,3,4-oxadiazol-2-yl)-8-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyrimidin-2-yl-5-(1,2,4-thiadiazol-3-yl)-4a-(1,3,4-thiadiazol-2-yl)-6-(thiadiazol-4-yl)-7-(1,3-thiazol-2-yl)-8a-(1H-1,2,4-triazol-3-yl)-8-(1H-triazol-4-yl)chromen-4-one
• SMILES: O=C1C(c2cccnn2)(c2ncco2)C(c2ncon2)(c2nc3ccccc3nc2-n2ccnc2)OC2(c3nc[nH]n3)C1(c1nncs1)C(c1cnccn1)(c1ncsn1)C(c1csnn1)(c1ncccn1)C(c1nnco1)(c1nccs1)C2(c1c[nH]nn1)c1conn1
• InChI: InChI=1S/C54H30N30O6S4/c85-38-47(43-60-14-17-86-43,31-7-3-10-65-72-31)53(41-63-25-89-79-41,36-37(84-16-13-56-24-84)71-30-6-2-1-5-29(30)70-36)90-54(42-62-23-67-76-42)48(33-20-66-81-73-33,34-21-88-82-74-34)52(44-77-68-26-87-44,45-61-15-18-91-45)50(35-22-93-83-75-35,39-58-8-4-9-59-39)49(40-64-27-94-80-40,32-19-55-11-12-57-32)51(38,54)46-78-69-28-92-46/h1-28H,(H,62,67,76)(H,66,73,81)
• InChIKey: KXTCLLGLQQTTPP-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 463.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 38
• Rotatable Bonds: 15
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1323.31
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(1,2,4-oxadiazol-3-yl)-7-(1,3,4-oxadiazol-2-yl)-8-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyrimidin-2-yl-5-(1,2,4-thiadiazol-3-yl)-4a-(1,3,4-thiadiazol-2-yl)-6-(thiadiazol-4-yl)-7-(1,3-thiazol-2-yl)-8a-(1H-1,2,4-triazol-3-yl)-8-(1H-triazol-4-yl)chromen-4-one?

The IUPAC name of 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(1,2,4-oxadiazol-3-yl)-7-(1,3,4-oxadiazol-2-yl)-8-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyrimidin-2-yl-5-(1,2,4-thiadiazol-3-yl)-4a-(1,3,4-thiadiazol-2-yl)-6-(thiadiazol-4-yl)-7-(1,3-thiazol-2-yl)-8a-(1H-1,2,4-triazol-3-yl)-8-(1H-triazol-4-yl)chromen-4-one (CID 175215292) is 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(1,2,4-oxadiazol-3-yl)-7-(1,3,4-oxadiazol-2-yl)-8-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyrimidin-2-yl-5-(1,2,4-thiadiazol-3-yl)-4a-(1,3,4-thiadiazol-2-yl)-6-(thiadiazol-4-yl)-7-(1,3-thiazol-2-yl)-8a-(1H-1,2,4-triazol-3-yl)-8-(1H-triazol-4-yl)chromen-4-one.

What is the SMILES notation for 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(1,2,4-oxadiazol-3-yl)-7-(1,3,4-oxadiazol-2-yl)-8-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyrimidin-2-yl-5-(1,2,4-thiadiazol-3-yl)-4a-(1,3,4-thiadiazol-2-yl)-6-(thiadiazol-4-yl)-7-(1,3-thiazol-2-yl)-8a-(1H-1,2,4-triazol-3-yl)-8-(1H-triazol-4-yl)chromen-4-one?

The canonical SMILES for 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(1,2,4-oxadiazol-3-yl)-7-(1,3,4-oxadiazol-2-yl)-8-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyrimidin-2-yl-5-(1,2,4-thiadiazol-3-yl)-4a-(1,3,4-thiadiazol-2-yl)-6-(thiadiazol-4-yl)-7-(1,3-thiazol-2-yl)-8a-(1H-1,2,4-triazol-3-yl)-8-(1H-triazol-4-yl)chromen-4-one is O=C1C(c2cccnn2)(c2ncco2)C(c2ncon2)(c2nc3ccccc3nc2-n2ccnc2)OC2(c3nc[nH]n3)C1(c1nncs1)C(c1cnccn1)(c1ncsn1)C(c1csnn1)(c1ncccn1)C(c1nnco1)(c1nccs1)C2(c1c[nH]nn1)c1conn1.

What is the InChIKey of 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(1,2,4-oxadiazol-3-yl)-7-(1,3,4-oxadiazol-2-yl)-8-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyrimidin-2-yl-5-(1,2,4-thiadiazol-3-yl)-4a-(1,3,4-thiadiazol-2-yl)-6-(thiadiazol-4-yl)-7-(1,3-thiazol-2-yl)-8a-(1H-1,2,4-triazol-3-yl)-8-(1H-triazol-4-yl)chromen-4-one?

The InChIKey is KXTCLLGLQQTTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30N30O6S4/c85-38-47(43-60-14-17-86-43,31-7-3-10-65-72-31)53(41-63-25-89-79-41,36-37(84-16-13-56-24-84)71-30-6-2-1-5-29(30)70-36)90-54(42-62-23-67-76-42)48(33-20-66-81-73-33,34-21-88-82-74-34)52(44-77-68-26-87-44,45-61-15-18-91-45)50(35-22-93-83-75-35,39-58-8-4-9-59-39)49(40-64-27-94-80-40,32-19-55-11-12-57-32)51(38,54)46-78-69-28-92-46/h1-28H,(H,62,67,76)(H,66,73,81).

What are the key properties of 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(1,2,4-oxadiazol-3-yl)-7-(1,3,4-oxadiazol-2-yl)-8-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyrimidin-2-yl-5-(1,2,4-thiadiazol-3-yl)-4a-(1,3,4-thiadiazol-2-yl)-6-(thiadiazol-4-yl)-7-(1,3-thiazol-2-yl)-8a-(1H-1,2,4-triazol-3-yl)-8-(1H-triazol-4-yl)chromen-4-one?

2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(1,2,4-oxadiazol-3-yl)-7-(1,3,4-oxadiazol-2-yl)-8-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyrimidin-2-yl-5-(1,2,4-thiadiazol-3-yl)-4a-(1,3,4-thiadiazol-2-yl)-6-(thiadiazol-4-yl)-7-(1,3-thiazol-2-yl)-8a-(1H-1,2,4-triazol-3-yl)-8-(1H-triazol-4-yl)chromen-4-one has a molecular weight of 1323.31 g/mol, XLogP of 3.19, 15 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-imidazol-1-ylquinoxalin-2-yl)-2-(1,2,4-oxadiazol-3-yl)-7-(1,3,4-oxadiazol-2-yl)-8-(oxadiazol-4-yl)-3-(1,3-oxazol-2-yl)-5-pyrazin-2-yl-3-pyridazin-3-yl-6-pyrimidin-2-yl-5-(1,2,4-thiadiazol-3-yl)-4a-(1,3,4-thiadiazol-2-yl)-6-(thiadiazol-4-yl)-7-(1,3-thiazol-2-yl)-8a-(1H-1,2,4-triazol-3-yl)-8-(1H-triazol-4-yl)chromen-4-one is sourced from PubChem (CID 175215292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).