1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium

C61H58N14O5Ru — CID 59008897

About 1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium

1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium (PubChem CID 59008897) has the molecular formula C61H58N14O5Ru and a molecular weight of 1168.30 g/mol. Its IUPAC name is 1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium.

Molecular Properties

• Compound Name: 1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium
• PubChem CID: 59008897
• Molecular Formula: C61H58N14O5Ru
• Molecular Weight: 1168.30 g/mol
• Exact Mass: 1168.38
• IUPAC Name: 1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium
• SMILES: Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cccn4C)cn3C)cn2C)cc1C(=O)NCOc1cc2cccnc2c2ncccc12.[Ru]
• InChI: InChI=1S/C37H34N10O5.2C12H12N2.Ru/c1-44-13-7-10-27(44)35(49)41-24-16-29(46(3)19-24)37(51)43-25-17-30(47(4)20-25)36(50)42-23-15-28(45(2)18-23)34(48)40-21-52-31-14-22-8-5-11-38-32(22)33-26(31)9-6-12-39-33;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h5-20H,21H2,1-4H3,(H,40,48)(H,41,49)(H,42,50)(H,43,51);2*3-8H,1-2H3
• InChIKey: AGWGHAZHODTXMR-UHFFFAOYSA-N
• XLogP: 10.18
• TPSA: 222.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1168.30
LogP ≤ 5	10.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium?

The IUPAC name of 1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium (CID 59008897) is 1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium.

What is the SMILES notation for 1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium?

The canonical SMILES for 1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cccn4C)cn3C)cn2C)cc1C(=O)NCOc1cc2cccnc2c2ncccc12.[Ru].

What is the InChIKey of 1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium?

The InChIKey is AGWGHAZHODTXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N10O5.2C12H12N2.Ru/c1-44-13-7-10-27(44)35(49)41-24-16-29(46(3)19-24)37(51)43-25-17-30(47(4)20-25)36(50)42-23-15-28(45(2)18-23)34(48)40-21-52-31-14-22-8-5-11-38-32(22)33-26(31)9-6-12-39-33;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h5-20H,21H2,1-4H3,(H,40,48)(H,41,49)(H,42,50)(H,43,51);2*3-8H,1-2H3;.

What are the key properties of 1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium?

1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium has a molecular weight of 1168.30 g/mol, XLogP of 10.18, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium is sourced from PubChem (CID 59008897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).