N-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline

C61H58N16O4Ru — CID 157338006

IUPACN-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
SMILESCCNC(=O)c1nc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cn1C.COc1cc2cccnc2c2ncccc12.Cc1ccnc(-c2cc(C)ccn2)c1.[Ru].c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3
InChIInChI=1S/C18H22N8O3.C18H14N4.C13H10N2O.C12H12N2.Ru/c1-5-19-17(28)15-22-13(10-26(15)4)23-16(27)12-8-11(9-25(12)3)21-18(29)14-20-6-7-24(14)2;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;1-16-11-8-9-4-2-6-14-12(9)13-10(11)5-3-7-15-13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h6-10H,5H2,1-4H3,(H,19,28)(H,21,29)(H,23,27);3-6,9-10H,1-2,7-8H2;2-8H,1H3;3-8H,1-2H3;
InChIKeyBGBKCBVOAYZRDM-UHFFFAOYSA-N
MW1180.31 g/mol
LogP9.90
Rot. Bonds8

About N-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline

N-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 157338006) has the molecular formula C61H58N16O4Ru and a molecular weight of 1180.31 g/mol. Its IUPAC name is N-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound NameN-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
PubChem CID157338006
Molecular FormulaC61H58N16O4Ru
Molecular Weight1180.31 g/mol
Exact Mass1180.39
IUPAC NameN-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
SMILESCCNC(=O)c1nc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cn1C.COc1cc2cccnc2c2ncccc12.Cc1ccnc(-c2cc(C)ccn2)c1.[Ru].c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3
InChIInChI=1S/C18H22N8O3.C18H14N4.C13H10N2O.C12H12N2.Ru/c1-5-19-17(28)15-22-13(10-26(15)4)23-16(27)12-8-11(9-25(12)3)21-18(29)14-20-6-7-24(14)2;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;1-16-11-8-9-4-2-6-14-12(9)13-10(11)5-3-7-15-13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h6-10H,5H2,1-4H3,(H,19,28)(H,21,29)(H,23,27);3-6,9-10H,1-2,7-8H2;2-8H,1H3;3-8H,1-2H3;
InChIKeyBGBKCBVOAYZRDM-UHFFFAOYSA-N
XLogP9.90
TPSA240.22 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001180.31
LogP ≤ 59.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methylimidazo[4,5-b]pyridin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157750123
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159583714
(4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(1,2-dimethylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1,2-dimethylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[3-methoxy-4-(trifluoromethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 159911479
2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]propanamide
CID 173170752
N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide
CID 173422565
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
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
10,11,12,13,13a,14-hexahydroquinoxalino[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
CID 59008874
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
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3-hydroxy-1-methyl-4-[[1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]-N-[1-methyl-5-(1,10-phenanthrolin-5-yloxymethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium
CID 59008904
4-[8-amino-3-[(7R,9aS)-4-oxo-2-(pyridine-4-carbonyl)-3,6,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methoxy-N-(4-methyl-2-pyridinyl)benzamide
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10-[3-[4-(14,14-Dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-[4-[3-[3-[20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,15,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-9-yl]phenyl]phenyl]-6-phenylpyrimidin-2-yl]-[1]benzofuro[3,2-c]carbazole
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
The IUPAC name of N-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline (CID 157338006) is N-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;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 N-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
The canonical SMILES for N-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline is CCNC(=O)c1nc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cn1C.COc1cc2cccnc2c2ncccc12.Cc1ccnc(-c2cc(C)ccn2)c1.[Ru].c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3.
What is the InChIKey of N-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
The InChIKey is BGBKCBVOAYZRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O3.C18H14N4.C13H10N2O.C12H12N2.Ru/c1-5-19-17(28)15-22-13(10-26(15)4)23-16(27)12-8-11(9-25(12)3)21-18(29)14-20-6-7-24(14)2;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;1-16-11-8-9-4-2-6-14-12(9)13-10(11)5-3-7-15-13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h6-10H,5H2,1-4H3,(H,19,28)(H,21,29)(H,23,27);3-6,9-10H,1-2,7-8H2;2-8H,1H3;3-8H,1-2H3;.
What are the key properties of N-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
N-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline has a molecular weight of 1180.31 g/mol, XLogP of 9.90, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]imidazole-2-carboxamide;5-methoxy-1,10-phenanthroline;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 157338006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).