bis(iron(2+));N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride

C72H63Cl4Fe2N15O3 — CID 75731916

About bis(iron(2+));N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride

bis(iron(2+));N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride (PubChem CID 75731916) has the molecular formula C72H63Cl4Fe2N15O3 and a molecular weight of 1439.90 g/mol. Its IUPAC name is bis(iron(2+));N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride.

Molecular Properties

• Compound Name: bis(iron(2+));N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride
• PubChem CID: 75731916
• Molecular Formula: C72H63Cl4Fe2N15O3
• Molecular Weight: 1439.90 g/mol
• Exact Mass: 1437.27
• IUPAC Name: bis(iron(2+));N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride
• SMILES: C(=N/[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1cnccn1.C(=N/[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1cnccn1.C(=N/[C@@H](COCc1ccc(-c2cnccn2)nc1)c1ccccc1)\c1ccccn1.[Cl-].[Cl-].[Cl-].[Cl-].[Fe+2].[Fe+2]
• InChI: InChI=1S/3C24H21N5O.4ClH.2Fe/c2*1-2-6-20(7-3-1)24(29-16-21-15-25-12-13-26-21)18-30-17-19-9-10-23(28-14-19)22-8-4-5-11-27-22;1-2-6-20(7-3-1)24(29-15-21-8-4-5-11-26-21)18-30-17-19-9-10-22(28-14-19)23-16-25-12-13-27-23;;;;;;/h3*1-16,24H,17-18H2;4*1H;;/q;;;;;;;2*+2/p-4/b2*29-16+;29-15+;;;;;;/t3*24-;;;;;;/m000....../s1
• InChIKey: PKWPURPXQKFLQG-LAYZPUAHSA-J
• XLogP: 0.94
• TPSA: 219.45 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1439.90
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(iron(2+));N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride?

The IUPAC name of bis(iron(2+));N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride (CID 75731916) is bis(iron(2+));N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride.

What is the SMILES notation for bis(iron(2+));N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride?

The canonical SMILES for bis(iron(2+));N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride is C(=N/[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1cnccn1.C(=N/[C@@H](COCc1ccc(-c2ccccn2)nc1)c1ccccc1)\c1cnccn1.C(=N/[C@@H](COCc1ccc(-c2cnccn2)nc1)c1ccccc1)\c1ccccn1.[Cl-].[Cl-].[Cl-].[Cl-].[Fe+2].[Fe+2].

What is the InChIKey of bis(iron(2+));N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride?

The InChIKey is PKWPURPXQKFLQG-LAYZPUAHSA-J. The full InChI is InChI=1S/3C24H21N5O.4ClH.2Fe/c2*1-2-6-20(7-3-1)24(29-16-21-15-25-12-13-26-21)18-30-17-19-9-10-23(28-14-19)22-8-4-5-11-27-22;1-2-6-20(7-3-1)24(29-15-21-8-4-5-11-26-21)18-30-17-19-9-10-22(28-14-19)23-16-25-12-13-27-23;;;;;;/h3*1-16,24H,17-18H2;4*1H;;/q;;;;;;;2*+2/p-4/b2*29-16+;29-15+;;;;;;/t3*24-;;;;;;/m000....../s1.

What are the key properties of bis(iron(2+));N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride?

bis(iron(2+));N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride has a molecular weight of 1439.90 g/mol, XLogP of 0.94, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(iron(2+));N-[(1R)-1-phenyl-2-[(6-pyrazin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyridin-2-ylmethanimine;bis(N-[(1R)-1-phenyl-2-[(6-pyridin-2-yl-3-pyridinyl)methoxy]ethyl]-1-pyrazin-2-ylmethanimine);tetrachloride is sourced from PubChem (CID 75731916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).