3-(1H-imidazol-2-yl)-5-indolizin-1-yl-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-7-pyrimidin-2-ylindazole

C49H33N15 — CID 141049050

About 3-(1H-imidazol-2-yl)-5-indolizin-1-yl-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-7-pyrimidin-2-ylindazole

3-(1H-imidazol-2-yl)-5-indolizin-1-yl-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-7-pyrimidin-2-ylindazole (PubChem CID 141049050) has the molecular formula C49H33N15 and a molecular weight of 831.91 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-5-indolizin-1-yl-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-7-pyrimidin-2-ylindazole.

Molecular Properties

• Compound Name: 3-(1H-imidazol-2-yl)-5-indolizin-1-yl-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-7-pyrimidin-2-ylindazole
• PubChem CID: 141049050
• Molecular Formula: C49H33N15
• Molecular Weight: 831.91 g/mol
• Exact Mass: 831.30
• IUPAC Name: 3-(1H-imidazol-2-yl)-5-indolizin-1-yl-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-7-pyrimidin-2-ylindazole
• SMILES: c1cnc(-c2c(-c3cccnn3)c(-c3ccn4ccccc34)c(-c3[nH]cc4ccccc34)c3c2N(c2cnccn2)N(c2cc[nH]n2)C3(c2cc3ccccc3[nH]2)c2ncc[nH]2)nc1
• InChI: InChI=1S/C49H33N15/c1-3-11-32-31(10-1)28-56-45(32)42-40(33-16-26-62-25-6-5-14-36(33)62)41(35-13-7-19-57-60-35)43(47-52-17-8-18-53-47)46-44(42)49(48-54-23-24-55-48,37-27-30-9-2-4-12-34(30)59-37)64(38-15-20-58-61-38)63(46)39-29-50-21-22-51-39/h1-29,56,59H,(H,54,55)(H,58,61)
• InChIKey: VRHZBVRZBLHGTB-UHFFFAOYSA-N
• XLogP: 9.25
• TPSA: 177.17 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	831.91
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-5-indolizin-1-yl-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-7-pyrimidin-2-ylindazole?

The IUPAC name of 3-(1H-imidazol-2-yl)-5-indolizin-1-yl-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-7-pyrimidin-2-ylindazole (CID 141049050) is 3-(1H-imidazol-2-yl)-5-indolizin-1-yl-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-7-pyrimidin-2-ylindazole.

What is the SMILES notation for 3-(1H-imidazol-2-yl)-5-indolizin-1-yl-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-7-pyrimidin-2-ylindazole?

The canonical SMILES for 3-(1H-imidazol-2-yl)-5-indolizin-1-yl-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-7-pyrimidin-2-ylindazole is c1cnc(-c2c(-c3cccnn3)c(-c3ccn4ccccc34)c(-c3[nH]cc4ccccc34)c3c2N(c2cnccn2)N(c2cc[nH]n2)C3(c2cc3ccccc3[nH]2)c2ncc[nH]2)nc1.

What is the InChIKey of 3-(1H-imidazol-2-yl)-5-indolizin-1-yl-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-7-pyrimidin-2-ylindazole?

The InChIKey is VRHZBVRZBLHGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N15/c1-3-11-32-31(10-1)28-56-45(32)42-40(33-16-26-62-25-6-5-14-36(33)62)41(35-13-7-19-57-60-35)43(47-52-17-8-18-53-47)46-44(42)49(48-54-23-24-55-48,37-27-30-9-2-4-12-34(30)59-37)64(38-15-20-58-61-38)63(46)39-29-50-21-22-51-39/h1-29,56,59H,(H,54,55)(H,58,61).

What are the key properties of 3-(1H-imidazol-2-yl)-5-indolizin-1-yl-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-7-pyrimidin-2-ylindazole?

3-(1H-imidazol-2-yl)-5-indolizin-1-yl-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-7-pyrimidin-2-ylindazole has a molecular weight of 831.91 g/mol, XLogP of 9.25, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-imidazol-2-yl)-5-indolizin-1-yl-3-(1H-indol-2-yl)-4-(2H-isoindol-1-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-6-pyridazin-3-yl-7-pyrimidin-2-ylindazole is sourced from PubChem (CID 141049050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).