2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indole

C40H26N12 — CID 141135337

About 2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indole

2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indole (PubChem CID 141135337) has the molecular formula C40H26N12 and a molecular weight of 674.73 g/mol. Its IUPAC name is 2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indole.

Molecular Properties

• Compound Name: 2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indole
• PubChem CID: 141135337
• Molecular Formula: C40H26N12
• Molecular Weight: 674.73 g/mol
• Exact Mass: 674.24
• IUPAC Name: 2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indole
• SMILES: c1ccc(-c2c(-c3cnccn3)c(-c3ncccn3)c3c(-c4cccnn4)c(-c4ccn5ccccc45)n(-c4ccc[nH]4)c3c2-c2cc[nH]n2)nc1
• InChI: InChI=1S/C40H26N12/c1-3-14-42-26(8-1)32-33(29-24-41-20-21-43-29)37(40-45-16-7-17-46-40)36-35(27-9-5-18-47-49-27)38(25-13-23-51-22-4-2-10-30(25)51)52(31-11-6-15-44-31)39(36)34(32)28-12-19-48-50-28/h1-24,44H,(H,48,50)
• InChIKey: SOECJQSXRBNIME-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 144.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.73
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indole?

The IUPAC name of 2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indole (CID 141135337) is 2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indole.

What is the SMILES notation for 2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indole?

The canonical SMILES for 2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indole is c1ccc(-c2c(-c3cnccn3)c(-c3ncccn3)c3c(-c4cccnn4)c(-c4ccn5ccccc45)n(-c4ccc[nH]4)c3c2-c2cc[nH]n2)nc1.

What is the InChIKey of 2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indole?

The InChIKey is SOECJQSXRBNIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N12/c1-3-14-42-26(8-1)32-33(29-24-41-20-21-43-29)37(40-45-16-7-17-46-40)36-35(27-9-5-18-47-49-27)38(25-13-23-51-22-4-2-10-30(25)51)52(31-11-6-15-44-31)39(36)34(32)28-12-19-48-50-28/h1-24,44H,(H,48,50).

What are the key properties of 2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indole?

2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indole has a molecular weight of 674.73 g/mol, XLogP of 7.70, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-indolizin-1-yl-5-pyrazin-2-yl-7-(1H-pyrazol-3-yl)-3-pyridazin-3-yl-6-pyridin-2-yl-4-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)indole is sourced from PubChem (CID 141135337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).