3-[2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-ylindol-1-yl]-1,2-oxazole

C39H24N12O — CID 141088930

About 3-[2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-ylindol-1-yl]-1,2-oxazole

3-[2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-ylindol-1-yl]-1,2-oxazole (PubChem CID 141088930) has the molecular formula C39H24N12O and a molecular weight of 676.70 g/mol. Its IUPAC name is 3-[2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-ylindol-1-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-ylindol-1-yl]-1,2-oxazole
• PubChem CID: 141088930
• Molecular Formula: C39H24N12O
• Molecular Weight: 676.70 g/mol
• Exact Mass: 676.22
• IUPAC Name: 3-[2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-ylindol-1-yl]-1,2-oxazole
• SMILES: c1ccc(-c2c(-c3cnccn3)c(-c3ncccn3)c3c(-c4cccnn4)c(-c4ccn5ccccc45)n(-c4ccon4)c3c2-c2cc[nH]n2)nc1
• InChI: InChI=1S/C39H24N12O/c1-3-13-41-25(7-1)31-32(28-23-40-18-19-42-28)36(39-43-14-6-15-44-39)35-34(26-8-5-16-45-47-26)37(24-11-21-50-20-4-2-9-29(24)50)51(30-12-22-52-49-30)38(35)33(31)27-10-17-46-48-27/h1-23H,(H,46,48)
• InChIKey: YOKNIAJZURACDF-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 154.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	676.70
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-[2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-ylindol-1-yl]-1,2-oxazole?

The IUPAC name of 3-[2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-ylindol-1-yl]-1,2-oxazole (CID 141088930) is 3-[2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-ylindol-1-yl]-1,2-oxazole.

What is the SMILES notation for 3-[2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-ylindol-1-yl]-1,2-oxazole?

The canonical SMILES for 3-[2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-ylindol-1-yl]-1,2-oxazole is c1ccc(-c2c(-c3cnccn3)c(-c3ncccn3)c3c(-c4cccnn4)c(-c4ccn5ccccc45)n(-c4ccon4)c3c2-c2cc[nH]n2)nc1.

What is the InChIKey of 3-[2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-ylindol-1-yl]-1,2-oxazole?

The InChIKey is YOKNIAJZURACDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N12O/c1-3-13-41-25(7-1)31-32(28-23-40-18-19-42-28)36(39-43-14-6-15-44-39)35-34(26-8-5-16-45-47-26)37(24-11-21-50-20-4-2-9-29(24)50)51(30-12-22-52-49-30)38(35)33(31)27-10-17-46-48-27/h1-23H,(H,46,48).

What are the key properties of 3-[2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-ylindol-1-yl]-1,2-oxazole?

3-[2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-ylindol-1-yl]-1,2-oxazole has a molecular weight of 676.70 g/mol, XLogP of 7.36, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-ylindol-1-yl]-1,2-oxazole is sourced from PubChem (CID 141088930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).