[(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)

C59H57F9N8O8Ru — CID 153445679

IUPAC[(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
SMILESO=CO/C(F)=C/c1ccnc(-c2cc(/C=C(\F)OC=O)cc(-c3cc(/C=C(\F)OC=O)ccn3)n2)c1.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1)C(F)(F)F.[Ru+2]
InChIInChI=1S/C35H43F6N5O2.C24H14F3N3O6.Ru/c1-3-5-7-9-11-13-18-47-29-16-15-17-30(48-19-14-12-10-8-6-4-2)33(29)24-20-26(25(42)22-31(43)34(36,37)38)44-27(21-24)28-23-32(46-45-28)35(39,40)41;25-22(34-12-31)9-15-1-3-28-18(5-15)20-7-17(11-24(27)36-14-33)8-21(30-20)19-6-16(2-4-29-19)10-23(26)35-13-32;/h15-17,20-23,42-43H,3-14,18-19H2,1-2H3;1-14H;/q-2;;+2/b25-22+,43-31-;22-9+,23-10+,24-11+;
InChIKeyCCWTVQQOVOZDQO-NJUUIWAMSA-N
MW1278.20 g/mol
LogP15.77
Rot. Bonds31

About [(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)

[(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+) (PubChem CID 153445679) has the molecular formula C59H57F9N8O8Ru and a molecular weight of 1278.20 g/mol. Its IUPAC name is [(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+).

Molecular Properties

Compound Name[(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
PubChem CID153445679
Molecular FormulaC59H57F9N8O8Ru
Molecular Weight1278.20 g/mol
Exact Mass1278.32
IUPAC Name[(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
SMILESO=CO/C(F)=C/c1ccnc(-c2cc(/C=C(\F)OC=O)cc(-c3cc(/C=C(\F)OC=O)ccn3)n2)c1.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1)C(F)(F)F.[Ru+2]
InChIInChI=1S/C35H43F6N5O2.C24H14F3N3O6.Ru/c1-3-5-7-9-11-13-18-47-29-16-15-17-30(48-19-14-12-10-8-6-4-2)33(29)24-20-26(25(42)22-31(43)34(36,37)38)44-27(21-24)28-23-32(46-45-28)35(39,40)41;25-22(34-12-31)9-15-1-3-28-18(5-15)20-7-17(11-24(27)36-14-33)8-21(30-20)19-6-16(2-4-29-19)10-23(26)35-13-32;/h15-17,20-23,42-43H,3-14,18-19H2,1-2H3;1-14H;/q-2;;+2/b25-22+,43-31-;22-9+,23-10+,24-11+;
InChIKeyCCWTVQQOVOZDQO-NJUUIWAMSA-N
XLogP15.77
TPSA223.56 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds31
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001278.20
LogP ≤ 515.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+) 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

[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[5-fluoro-4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 140687193
[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 140687324
[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-1-[2-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-6-[4-[(E)-2-formyloxy-3-oxobut-1-enyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]-3-oxobut-1-en-2-yl] formate;ruthenium(2+)
CID 140687338
[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2-[4-[(E)-2-formyloxyethenyl]-6-[4-[(E)-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 140687395
[(Z)-1-[6-[(Z)-1-azanidyl-4,4,4-trifluoro-3-iminobut-1-enyl]-4-(2,6-dioctoxyphenyl)-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(E)-2-[2,6-bis[4-[(E)-2-formyloxyethenyl]-5-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)
CID 140687515
[2-[6-[4-(2-Dibenzothiophen-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780318
[2-[6-[4-(2-Dibenzofuran-2-ylethynyl)-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(2,6-dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+);isothiocyanate
CID 140780321
5-(3,5-Dipropoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[2-(3-hexylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140780354
4-(2,6-Dioctoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[4-formyloxy-6-[4-[2-(3-hexylthiophen-2-yl)ethynyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);isothiocyanate
CID 140780386
N,N-bis(4-tert-butylphenyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+)
CID 140780415
[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;4-(3-ethylheptyl)-2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;ruthenium(2+)
CID 140780454
2,6-bis[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;[2-[6-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]-2-pyridinyl]-4-formyloxy-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+)
CID 140780478

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)?
The IUPAC name of [(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+) (CID 153445679) is [(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+).
What is the SMILES notation for [(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)?
The canonical SMILES for [(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+) is O=CO/C(F)=C/c1ccnc(-c2cc(/C=C(\F)OC=O)cc(-c3cc(/C=C(\F)OC=O)ccn3)n2)c1.[H]/N=C(/C=C(\[NH-])c1cc(-c2c(OCCCCCCCC)cccc2OCCCCCCCC)cc(-c2cc(C(F)(F)F)n[n-]2)n1)C(F)(F)F.[Ru+2].
What is the InChIKey of [(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)?
The InChIKey is CCWTVQQOVOZDQO-NJUUIWAMSA-N. The full InChI is InChI=1S/C35H43F6N5O2.C24H14F3N3O6.Ru/c1-3-5-7-9-11-13-18-47-29-16-15-17-30(48-19-14-12-10-8-6-4-2)33(29)24-20-26(25(42)22-31(43)34(36,37)38)44-27(21-24)28-23-32(46-45-28)35(39,40)41;25-22(34-12-31)9-15-1-3-28-18(5-15)20-7-17(11-24(27)36-14-33)8-21(30-20)19-6-16(2-4-29-19)10-23(26)35-13-32;/h15-17,20-23,42-43H,3-14,18-19H2,1-2H3;1-14H;/q-2;;+2/b25-22+,43-31-;22-9+,23-10+,24-11+;.
What are the key properties of [(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+)?
[(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+) has a molecular weight of 1278.20 g/mol, XLogP of 15.77, 31 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[4-(2,6-dioctoxyphenyl)-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-2-pyridinyl]-4,4,4-trifluoro-3-iminobut-1-enyl]azanide;[(Z)-1-fluoro-2-[2-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-6-[4-[(Z)-2-fluoro-2-formyloxyethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl]ethenyl] formate;ruthenium(2+) is sourced from PubChem (CID 153445679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).