1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline

About 1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline

1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 59008866) has the molecular formula C60H53N15O4Ru and a molecular weight of 1149.25 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]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline.

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]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
PubChem CID	59008866
Molecular Formula	C60H53N15O4Ru
Molecular Weight	1149.25 g/mol
Exact Mass	1149.34
IUPAC Name	1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
SMILES	Cc1ccnc(-c2cc(C)ccn2)c1.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCOc1cc2cccnc2c2ncccc12.[Ru].c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3
InChI	InChI=1S/C30H27N9O4.C18H14N4.C12H12N2.Ru/c1-37-11-10-33-27(37)30(42)36-20-14-23(39(3)16-20)29(41)35-19-13-22(38(2)15-19)28(40)34-17-43-24-12-18-6-4-8-31-25(18)26-21(24)7-5-9-32-26;1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h4-16H,17H2,1-3H3,(H,34,40)(H,35,41)(H,36,42);3-6,9-10H,1-2,7-8H2;3-8H,1-2H3;
InChIKey	QOLODXDUXCZIKQ-UHFFFAOYSA-N
XLogP	9.83
TPSA	227.33 Å²
H-Bond Donors	3
H-Bond Acceptors	16
Rotatable Bonds	9
Heavy Atoms	80
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1149.25
LogP ≤ 5	9.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

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'}

Related Compounds

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]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?

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]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline (CID 59008866) is 1-methyl-N-[1-methyl-5-[[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline.

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]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?

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]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline is Cc1ccnc(-c2cc(C)ccn2)c1.Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCOc1cc2cccnc2c2ncccc12.[Ru].c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3.

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]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?

The InChIKey is QOLODXDUXCZIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N9O4.C18H14N4.C12H12N2.Ru/c1-37-11-10-33-27(37)30(42)36-20-14-23(39(3)16-20)29(41)35-19-13-22(38(2)15-19)28(40)34-17-43-24-12-18-6-4-8-31-25(18)26-21(24)7-5-9-32-26;1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h4-16H,17H2,1-3H3,(H,34,40)(H,35,41)(H,36,42);3-6,9-10H,1-2,7-8H2;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]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?

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]imidazole-2-carboxamide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 59008866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).