1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium

C58H44N18O3Ru — CID 59008868

IUPAC1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium
SMILESCn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cc2cccnc2c2ncccc12.[Ru].c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12
InChIInChI=1S/C30H28N10O3.2C14H8N4.Ru/c1-38-11-10-33-27(38)30(43)37-20-14-24(40(3)16-20)29(42)36-19-13-23(39(2)15-19)28(41)35-17-34-22-12-18-6-4-8-31-25(18)26-21(22)7-5-9-32-26;2*1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14;/h4-16,34H,17H2,1-3H3,(H,35,41)(H,36,42)(H,37,43);2*1-8H;
InChIKeyLLSJBWDMKKYHFV-UHFFFAOYSA-N
MW1142.18 g/mol
LogP8.95
Rot. Bonds8

About 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium

1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium (PubChem CID 59008868) has the molecular formula C58H44N18O3Ru and a molecular weight of 1142.18 g/mol. Its IUPAC name is 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium.

Molecular Properties

Compound Name1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium
PubChem CID59008868
Molecular FormulaC58H44N18O3Ru
Molecular Weight1142.18 g/mol
Exact Mass1142.29
IUPAC Name1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium
SMILESCn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cc2cccnc2c2ncccc12.[Ru].c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12
InChIInChI=1S/C30H28N10O3.2C14H8N4.Ru/c1-38-11-10-33-27(38)30(43)37-20-14-24(40(3)16-20)29(42)36-19-13-23(39(2)15-19)28(41)35-17-34-22-12-18-6-4-8-31-25(18)26-21(22)7-5-9-32-26;2*1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14;/h4-16,34H,17H2,1-3H3,(H,35,41)(H,36,42)(H,37,43);2*1-8H;
InChIKeyLLSJBWDMKKYHFV-UHFFFAOYSA-N
XLogP8.95
TPSA255.91 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001142.18
LogP ≤ 58.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

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'}

Analyze 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide
CID 122689236
3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-(pyrimidin-5-ylmethyl)pyridine-4-carboxamide
CID 122690737
US8653087, III-186
CID 68035887
US8653087, III-211
CID 68035932
US8653087, III-255
CID 68035997
US11787802, Example 17
CID 137525580
US11401256, Example 2
CID 137530761
US11833156, Example 66
CID 138503211
US11787802, Example 2
CID 169489584
3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-N-[1-[6-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-1-methylbenzimidazol-2-yl]cyclobutyl]-1-methylindole-6-carboxamide
CID 58111291
3-[[6-(3,3-difluoropyrrolidin-1-yl)-1-[[2-[[6-(3,3-difluoropyrrolidin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 90992497
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[6-[[5-fluoro-4-[4-fluoro-2-[[5-fluoro-6-(4-fluoro-2-methyl-1-propan-2-ylindol-6-yl)-2-[[5-(1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-5-carbonyl)-2-pyridinyl]amino]pyrimidin-4-yl]methyl]-1-propan-2-ylindol-6-yl]pyrimidin-2-yl]amino]-3-pyridinyl]methanone
CID 134342466

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium?
The IUPAC name of 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium (CID 59008868) is 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium.
What is the SMILES notation for 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium?
The canonical SMILES for 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium is Cn1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cc1C(=O)NCNc1cc2cccnc2c2ncccc12.[Ru].c1cnc2c(c1)c1nccnc1c1cccnc12.c1cnc2c(c1)c1nccnc1c1cccnc12.
What is the InChIKey of 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium?
The InChIKey is LLSJBWDMKKYHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N10O3.2C14H8N4.Ru/c1-38-11-10-33-27(38)30(43)37-20-14-24(40(3)16-20)29(42)36-19-13-23(39(2)15-19)28(41)35-17-34-22-12-18-6-4-8-31-25(18)26-21(22)7-5-9-32-26;2*1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14;/h4-16,34H,17H2,1-3H3,(H,35,41)(H,36,42)(H,37,43);2*1-8H;.
What are the key properties of 1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium?
1-methyl-N-[1-methyl-5-[[1-methyl-5-[(1,10-phenanthrolin-5-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium has a molecular weight of 1142.18 g/mol, XLogP of 8.95, 8 rotatable bonds, 4 hydrogen bond donors, and 18 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-ylamino)methylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;bis(pyrazino[2,3-f][1,10]phenanthroline);ruthenium is sourced from PubChem (CID 59008868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).