1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium

C71H69N15O7Ru — CID 59008942

IUPAC1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium
SMILESCn1cc(NC(=O)C(C)(C)c2cc(NC(=O)c3cc([N+](=O)[O-])cn3C)cn2C)cc1C(=O)Nc1cc(C(=O)C(C)(C)NCCC(C)(C)Oc2ccnc3c2ccc2cccnc23)n(C)c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C47H53N11O7.2C12H8N2.Ru/c1-45(2,65-37-15-18-49-40-33(37)14-13-28-12-11-17-48-39(28)40)16-19-50-47(5,6)41(59)34-20-29(24-54(34)7)51-42(60)35-21-30(25-55(35)8)53-44(62)46(3,4)38-22-31(26-57(38)10)52-43(61)36-23-32(58(63)64)27-56(36)9;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h11-15,17-18,20-27,50H,16,19H2,1-10H3,(H,51,60)(H,52,61)(H,53,62);2*1-8H;
InChIKeyXTPCPDCPXNFAPD-UHFFFAOYSA-N
MW1345.50 g/mol
LogP12.83
Rot. Bonds16

About 1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium

1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium (PubChem CID 59008942) has the molecular formula C71H69N15O7Ru and a molecular weight of 1345.50 g/mol. Its IUPAC name is 1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium.

Molecular Properties

Compound Name1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium
PubChem CID59008942
Molecular FormulaC71H69N15O7Ru
Molecular Weight1345.50 g/mol
Exact Mass1345.45
IUPAC Name1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium
SMILESCn1cc(NC(=O)C(C)(C)c2cc(NC(=O)c3cc([N+](=O)[O-])cn3C)cn2C)cc1C(=O)Nc1cc(C(=O)C(C)(C)NCCC(C)(C)Oc2ccnc3c2ccc2cccnc23)n(C)c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C47H53N11O7.2C12H8N2.Ru/c1-45(2,65-37-15-18-49-40-33(37)14-13-28-12-11-17-48-39(28)40)16-19-50-47(5,6)41(59)34-20-29(24-54(34)7)51-42(60)35-21-30(25-55(35)8)53-44(62)46(3,4)38-22-31(26-57(38)10)52-43(61)36-23-32(58(63)64)27-56(36)9;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h11-15,17-18,20-27,50H,16,19H2,1-10H3,(H,51,60)(H,52,61)(H,53,62);2*1-8H;
InChIKeyXTPCPDCPXNFAPD-UHFFFAOYSA-N
XLogP12.83
TPSA265.83 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001345.50
LogP ≤ 512.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(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

1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium
CID 59008873
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
1-methyl-4-[2-[1-methyl-4-[2-[1-methyl-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]pyrrol-2-yl]-2-oxoethyl]-N-[2-(1,10-phenanthrolin-4-yloxy)ethyl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium
CID 158224909
ethane;1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium
CID 161441939
1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium(2+);dihexafluorophosphate
CID 11982325
1-methyl-N-[1-methyl-5-[[1-methyl-5-[2-(1,10-phenanthrolin-4-yloxy)ethylcarbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carboxamide
CID 11982326
1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 59008943
3-Methyl-1-[1-methyl-5-[2-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]acetyl]pyrrol-3-yl]-3-[1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrol-2-yl]butan-2-one
CID 158384478

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium?
The IUPAC name of 1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium (CID 59008942) is 1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium.
What is the SMILES notation for 1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium?
The canonical SMILES for 1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium is Cn1cc(NC(=O)C(C)(C)c2cc(NC(=O)c3cc([N+](=O)[O-])cn3C)cn2C)cc1C(=O)Nc1cc(C(=O)C(C)(C)NCCC(C)(C)Oc2ccnc3c2ccc2cccnc23)n(C)c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium?
The InChIKey is XTPCPDCPXNFAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H53N11O7.2C12H8N2.Ru/c1-45(2,65-37-15-18-49-40-33(37)14-13-28-12-11-17-48-39(28)40)16-19-50-47(5,6)41(59)34-20-29(24-54(34)7)51-42(60)35-21-30(25-55(35)8)53-44(62)46(3,4)38-22-31(26-57(38)10)52-43(61)36-23-32(58(63)64)27-56(36)9;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h11-15,17-18,20-27,50H,16,19H2,1-10H3,(H,51,60)(H,52,61)(H,53,62);2*1-8H;.
What are the key properties of 1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium?
1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium has a molecular weight of 1345.50 g/mol, XLogP of 12.83, 16 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-methyl-2-[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrol-2-yl]propanoyl]amino]-N-[1-methyl-5-[2-methyl-2-[[3-methyl-3-(1,10-phenanthrolin-4-yloxy)butyl]amino]propanoyl]pyrrol-3-yl]pyrrole-2-carboxamide;bis(1,10-phenanthroline);ruthenium is sourced from PubChem (CID 59008942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).