2-hydroxy-5-(2-pyrazin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid

C139H103N17O18 — CID 158264271

About 2-hydroxy-5-(2-pyrazin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid

2-hydroxy-5-(2-pyrazin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid (PubChem CID 158264271) has the molecular formula C139H103N17O18 and a molecular weight of 2299.45 g/mol. Its IUPAC name is 2-hydroxy-5-(2-pyrazin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid.

Molecular Properties

• Compound Name: 2-hydroxy-5-(2-pyrazin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid
• PubChem CID: 158264271
• Molecular Formula: C139H103N17O18
• Molecular Weight: 2299.45 g/mol
• Exact Mass: 2297.77
• IUPAC Name: 2-hydroxy-5-(2-pyrazin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid
• SMILES: O=C(O)c1cc(-n2c(-c3cccnc3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3cccnn3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccncn3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccnnc3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3cnccn3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ncccn3)cc3c2CCc2ccccc2-3)ccc1O
• InChI: InChI=1S/C24H18N2O3.5C23H17N3O3/c27-23-10-8-17(12-20(23)24(28)29)26-21-9-7-15-4-1-2-6-18(15)19(21)13-22(26)16-5-3-11-25-14-16;27-21-9-7-15(12-18(21)23(28)29)26-19-8-6-14-4-1-2-5-16(14)17(19)13-20(26)22-24-10-3-11-25-22;27-22-10-8-15(12-18(22)23(28)29)26-20-9-7-14-4-1-2-5-16(14)17(20)13-21(26)19-6-3-11-24-25-19;27-22-8-6-16(11-19(22)23(28)29)26-20-7-5-14-3-1-2-4-17(14)18(20)12-21(26)15-9-10-24-25-13-15;27-22-8-6-15(11-18(22)23(28)29)26-20-7-5-14-3-1-2-4-16(14)17(20)12-21(26)19-13-24-9-10-25-19;27-22-8-6-15(11-18(22)23(28)29)26-20-7-5-14-3-1-2-4-16(14)17(20)12-21(26)19-9-10-24-13-25-19/h1-6,8,10-14,27H,7,9H2,(H,28,29);1-5,7,9-13,27H,6,8H2,(H,28,29);1-6,8,10-13,27H,7,9H2,(H,28,29);3*1-4,6,8-13,27H,5,7H2,(H,28,29)
• InChIKey: GIFZBDKDPRSCFE-UHFFFAOYSA-N
• XLogP: 25.23
• TPSA: 516.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2299.45
LogP ≤ 5	25.23
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(2-pyrazin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid?

The IUPAC name of 2-hydroxy-5-(2-pyrazin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid (CID 158264271) is 2-hydroxy-5-(2-pyrazin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid.

What is the SMILES notation for 2-hydroxy-5-(2-pyrazin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid?

The canonical SMILES for 2-hydroxy-5-(2-pyrazin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid is O=C(O)c1cc(-n2c(-c3cccnc3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3cccnn3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccncn3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ccnnc3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3cnccn3)cc3c2CCc2ccccc2-3)ccc1O.O=C(O)c1cc(-n2c(-c3ncccn3)cc3c2CCc2ccccc2-3)ccc1O.

What is the InChIKey of 2-hydroxy-5-(2-pyrazin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid?

The InChIKey is GIFZBDKDPRSCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3.5C23H17N3O3/c27-23-10-8-17(12-20(23)24(28)29)26-21-9-7-15-4-1-2-6-18(15)19(21)13-22(26)16-5-3-11-25-14-16;27-21-9-7-15(12-18(21)23(28)29)26-19-8-6-14-4-1-2-5-16(14)17(19)13-20(26)22-24-10-3-11-25-22;27-22-10-8-15(12-18(22)23(28)29)26-20-9-7-14-4-1-2-5-16(14)17(20)13-21(26)19-6-3-11-24-25-19;27-22-8-6-16(11-19(22)23(28)29)26-20-7-5-14-3-1-2-4-17(14)18(20)12-21(26)15-9-10-24-25-13-15;27-22-8-6-15(11-18(22)23(28)29)26-20-7-5-14-3-1-2-4-16(14)17(20)12-21(26)19-13-24-9-10-25-19;27-22-8-6-15(11-18(22)23(28)29)26-20-7-5-14-3-1-2-4-16(14)17(20)12-21(26)19-9-10-24-13-25-19/h1-6,8,10-14,27H,7,9H2,(H,28,29);1-5,7,9-13,27H,6,8H2,(H,28,29);1-6,8,10-13,27H,7,9H2,(H,28,29);3*1-4,6,8-13,27H,5,7H2,(H,28,29).

What are the key properties of 2-hydroxy-5-(2-pyrazin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid?

2-hydroxy-5-(2-pyrazin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid has a molecular weight of 2299.45 g/mol, XLogP of 25.23, 18 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-5-(2-pyrazin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridazin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyridin-3-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-2-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid;2-hydroxy-5-(2-pyrimidin-4-yl-4,5-dihydrobenzo[e]indol-3-yl)benzoic acid is sourced from PubChem (CID 158264271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).