N-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium

C94H136N42O10Ru — CID 58133344

IUPACN-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium
SMILES[H]/N=C(\N)NCCCC(NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)CCCCCNC(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1)C(N)=O.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C74H120N38O10.2C10H8N2.Ru/c75-57(114)44(16-6-32-95-67(76)77)104-61(117)46(18-8-34-97-69(80)81)106-63(119)48(20-10-36-99-71(84)85)108-65(121)50(22-12-38-101-73(88)89)110-66(122)51(23-13-39-102-74(90)91)109-64(120)49(21-11-37-100-72(86)87)107-62(118)47(19-9-35-98-70(82)83)105-60(116)45(17-7-33-96-68(78)79)103-52(113)24-2-1-3-29-94-59(115)41-27-25-40(26-28-41)58-111-55-42-14-4-30-92-53(42)54-43(56(55)112-58)15-5-31-93-54;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h4-5,14-15,25-28,30-31,44-51H,1-3,6-13,16-24,29,32-39H2,(H2,75,114)(H,94,115)(H,103,113)(H,104,117)(H,105,116)(H,106,119)(H,107,118)(H,108,121)(H,109,120)(H,110,122)(H,111,112)(H4,76,77,95)(H4,78,79,96)(H4,80,81,97)(H4,82,83,98)(H4,84,85,99)(H4,86,87,100)(H4,88,89,101)(H4,90,91,102);2*1-8H;
InChIKeyBABIVWODBCNRBS-UHFFFAOYSA-N
MW2115.48 g/mol
LogP-1.63
Rot. Bonds58

About N-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium

N-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 58133344) has the molecular formula C94H136N42O10Ru and a molecular weight of 2115.48 g/mol. Its IUPAC name is N-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound NameN-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID58133344
Molecular FormulaC94H136N42O10Ru
Molecular Weight2115.48 g/mol
Exact Mass2115.05
IUPAC NameN-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium
SMILES[H]/N=C(\N)NCCCC(NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)CCCCCNC(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1)C(N)=O.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C74H120N38O10.2C10H8N2.Ru/c75-57(114)44(16-6-32-95-67(76)77)104-61(117)46(18-8-34-97-69(80)81)106-63(119)48(20-10-36-99-71(84)85)108-65(121)50(22-12-38-101-73(88)89)110-66(122)51(23-13-39-102-74(90)91)109-64(120)49(21-11-37-100-72(86)87)107-62(118)47(19-9-35-98-70(82)83)105-60(116)45(17-7-33-96-68(78)79)103-52(113)24-2-1-3-29-94-59(115)41-27-25-40(26-28-41)58-111-55-42-14-4-30-92-53(42)54-43(56(55)112-58)15-5-31-93-54;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h4-5,14-15,25-28,30-31,44-51H,1-3,6-13,16-24,29,32-39H2,(H2,75,114)(H,94,115)(H,103,113)(H,104,117)(H,105,116)(H,106,119)(H,107,118)(H,108,121)(H,109,120)(H,110,122)(H,111,112)(H4,76,77,95)(H4,78,79,96)(H4,80,81,97)(H4,82,83,98)(H4,84,85,99)(H4,86,87,100)(H4,88,89,101)(H4,90,91,102);2*1-8H;
InChIKeyBABIVWODBCNRBS-UHFFFAOYSA-N
XLogP-1.63
TPSA906.21 Ų
H-Bond Donors35
H-Bond Acceptors25
Rotatable Bonds58
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002115.48
LogP ≤ 5-1.63
H-Bond Donors ≤ 535
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium with MolForge

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Launch Full Analysis

Related Compounds

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6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
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7-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
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US11053243, Example 101
CID 118348613
US11053243, Example 103
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CID 138503211
4-[8-amino-7-[5-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-[2-(trifluoromethyl)prop-2-enoyl]pyrrolidin-3-yl]-3-(1-but-2-enoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-7-ium-1-yl]-N-pyridin-2-ylbenzamide
CID 123398222
6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-N-[6-[4-[5-[[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indole-2-carbonyl]amino]pyridazin-4-yl]piperazin-1-yl]-3-(trifluoromethyl)pyridazin-4-yl]-1H-indole-2-carboxamide
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6-[4-[[2-[6-(1H-indazol-5-ylamino)-2-[2-[[3-(trifluoromethyl)pyridin-4-yl]carbamoyl]-1H-indol-6-yl]pyrimidin-4-yl]-6-(1H-pyrazol-4-yl)pyridin-3-yl]amino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
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3-[6-[(1R,4R)-5-[3-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
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Frequently Asked Questions

What is the IUPAC name of N-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of N-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium (CID 58133344) is N-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for N-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for N-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium is [H]/N=C(\N)NCCCC(NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)C(CCCN/C(N)=N/[H])NC(=O)CCCCCNC(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1)C(N)=O.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of N-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is BABIVWODBCNRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H120N38O10.2C10H8N2.Ru/c75-57(114)44(16-6-32-95-67(76)77)104-61(117)46(18-8-34-97-69(80)81)106-63(119)48(20-10-36-99-71(84)85)108-65(121)50(22-12-38-101-73(88)89)110-66(122)51(23-13-39-102-74(90)91)109-64(120)49(21-11-37-100-72(86)87)107-62(118)47(19-9-35-98-70(82)83)105-60(116)45(17-7-33-96-68(78)79)103-52(113)24-2-1-3-29-94-59(115)41-27-25-40(26-28-41)58-111-55-42-14-4-30-92-53(42)54-43(56(55)112-58)15-5-31-93-54;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h4-5,14-15,25-28,30-31,44-51H,1-3,6-13,16-24,29,32-39H2,(H2,75,114)(H,94,115)(H,103,113)(H,104,117)(H,105,116)(H,106,119)(H,107,118)(H,108,121)(H,109,120)(H,110,122)(H,111,112)(H4,76,77,95)(H4,78,79,96)(H4,80,81,97)(H4,82,83,98)(H4,84,85,99)(H4,86,87,100)(H4,88,89,101)(H4,90,91,102);2*1-8H;.
What are the key properties of N-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium?
N-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 2115.48 g/mol, XLogP of -1.63, 58 rotatable bonds, 35 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-5-carbamimidamido-1-oxopentan-2-yl)amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 58133344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).