chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten

C55H64ClN9OsW+ — CID 59084136

IUPACchloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cl[Os].[CH2-][n+]1ccc(C(CC)CC(CC(CC)c2cc[n+](CCCn3ccnc3)cc2)c2ccncc2)cc1.[W]
InChIInChI=1S/C31H40N5.2C12H12N2.ClH.Os.W/c1-4-26(29-9-18-34(3)19-10-29)23-31(28-7-13-32-14-8-28)24-27(5-2)30-11-20-35(21-12-30)16-6-17-36-22-15-33-25-36;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;;/h7-15,18-22,25-27,31H,3-6,16-17,23-24H2,1-2H3;2*3-8H,1-2H3;1H;;/q+1;;;;+1;/p-1
InChIKeyOIRXEHHBAPHIED-UHFFFAOYSA-M
MW1260.70 g/mol
LogP12.04
Rot. Bonds15

About chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten

chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten (PubChem CID 59084136) has the molecular formula C55H64ClN9OsW+ and a molecular weight of 1260.70 g/mol. Its IUPAC name is chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten.

Molecular Properties

Compound Namechloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten
PubChem CID59084136
Molecular FormulaC55H64ClN9OsW+
Molecular Weight1260.70 g/mol
Exact Mass1261.41
IUPAC Namechloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cl[Os].[CH2-][n+]1ccc(C(CC)CC(CC(CC)c2cc[n+](CCCn3ccnc3)cc2)c2ccncc2)cc1.[W]
InChIInChI=1S/C31H40N5.2C12H12N2.ClH.Os.W/c1-4-26(29-9-18-34(3)19-10-29)23-31(28-7-13-32-14-8-28)24-27(5-2)30-11-20-35(21-12-30)16-6-17-36-22-15-33-25-36;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;;/h7-15,18-22,25-27,31H,3-6,16-17,23-24H2,1-2H3;2*3-8H,1-2H3;1H;;/q+1;;;;+1;/p-1
InChIKeyOIRXEHHBAPHIED-UHFFFAOYSA-M
XLogP12.04
TPSA90.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001260.70
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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4-{2-(4-Fluorophenyl)-7-[1-(2-methylpentyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-ylamine
CID 24884688
4-[2-(4-Fluorophenyl)-7-(1-hexylpiperidin-4-yl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24887645
N-[5-(4-aminopiperidin-1-yl)-2-pyridinyl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 90654463
2-(4-tert-butylphenyl)-8-(4-((1-ethyl-5-methyl-1H-imidazol-4-yl)methyl)piperazin-1-yl)imidazo[1,2-a]pyridine
CID 11532637
(3R)-1-{2-[(4aR,10bS)-3,4,4a,5,6,10b-Hexahydro-1,10-phenanthrolin-1(2H)-ylmethyl]imidazo[1,2-a]pyridin-5-yl}-N,N-dimethylpyrrolidin-3-amine
CID 11851568
2-[(4aR,10bS)-3,4,4a,5,6,10b-Hexahydro-1,10-phenanthrolin-1(2H)-ylmethyl]-N-methyl-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-5-amine
CID 11853382
2-[(4aR,10bS)-3,4,4a,5,6,10b-Hexahydro-1,10-phenanthrolin-1(2H)-ylmethyl]-N-methyl-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridin-5-amine
CID 11854137
(4aS,10bS)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
CID 11855709
(4aS,10bR)-1-[[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthroline
CID 11855711
1-{2-[(4aR,10bS)-3,4,4a,5,6,10b-Hexahydro-1,10-phenanthrolin-1(2H)-ylmethyl]imidazo[1,2-a]pyridin-5-yl}-N,N-dimethylpiperidin-4-amine
CID 11857046

Frequently Asked Questions

What is the IUPAC name of chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten?
The IUPAC name of chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten (CID 59084136) is chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten.
What is the SMILES notation for chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten?
The canonical SMILES for chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cl[Os].[CH2-][n+]1ccc(C(CC)CC(CC(CC)c2cc[n+](CCCn3ccnc3)cc2)c2ccncc2)cc1.[W].
What is the InChIKey of chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten?
The InChIKey is OIRXEHHBAPHIED-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H40N5.2C12H12N2.ClH.Os.W/c1-4-26(29-9-18-34(3)19-10-29)23-31(28-7-13-32-14-8-28)24-27(5-2)30-11-20-35(21-12-30)16-6-17-36-22-15-33-25-36;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;;/h7-15,18-22,25-27,31H,3-6,16-17,23-24H2,1-2H3;2*3-8H,1-2H3;1H;;/q+1;;;;+1;/p-1.
What are the key properties of chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten?
chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten has a molecular weight of 1260.70 g/mol, XLogP of 12.04, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chloroosmium;4-[1-ethyl-5-(1-methanidylpyridin-1-ium-4-yl)-3-pyridin-4-ylheptyl]-1-(3-imidazol-1-ylpropyl)pyridin-1-ium;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);tungsten is sourced from PubChem (CID 59084136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).