disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate)

C34H38Ag2F6N10O6S2 — CID 139147453

IUPACdisilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate)
SMILESCc1cc(C)n(C(c2ccncc2)n2nc(C)cc2C)n1.Cc1cc(C)n(C(c2ccncc2)n2nc(C)cc2C)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C16H19N5.2CHF3O3S.2Ag/c2*1-11-9-13(3)20(18-11)16(15-5-7-17-8-6-15)21-14(4)10-12(2)19-21;2*2-1(3,4)8(5,6)7;;/h2*5-10,16H,1-4H3;2*(H,5,6,7);;/q;;;;2*+1/p-2
InChIKeySGDUTJOYBCMYSW-UHFFFAOYSA-L
MW1076.60 g/mol
LogP5.70
Rot. Bonds6

About disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate)

disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate) (PubChem CID 139147453) has the molecular formula C34H38Ag2F6N10O6S2 and a molecular weight of 1076.60 g/mol. Its IUPAC name is disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate)
PubChem CID139147453
Molecular FormulaC34H38Ag2F6N10O6S2
Molecular Weight1076.60 g/mol
Exact Mass1074.04
IUPAC Namedisilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate)
SMILESCc1cc(C)n(C(c2ccncc2)n2nc(C)cc2C)n1.Cc1cc(C)n(C(c2ccncc2)n2nc(C)cc2C)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+]
InChIInChI=1S/2C16H19N5.2CHF3O3S.2Ag/c2*1-11-9-13(3)20(18-11)16(15-5-7-17-8-6-15)21-14(4)10-12(2)19-21;2*2-1(3,4)8(5,6)7;;/h2*5-10,16H,1-4H3;2*(H,5,6,7);;/q;;;;2*+1/p-2
InChIKeySGDUTJOYBCMYSW-UHFFFAOYSA-L
XLogP5.70
TPSA211.46 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001076.60
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate) 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

Bis{mu~2~-3-[3-(2-pyridyl)pyrazol-1-ylmethyl]pyridine-kappa^3^N^1^:N^2^,N^3^}disilver(I) bis(trifluoromethanesulfonate)
CID 139060498
Disilver;tetrakis(1-(indazol-1-ylmethyl)indazole);bis(trifluoromethanesulfonate)
CID 139196872
Cobalt;tris(4-methyl-2-pyrazol-1-ylpyridine);methylsulfonyl(trifluoromethylsulfonyl)azanide;hexakis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine)
CID 157177063
Cobalt;4,4,5,5,6,6-hexafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;4-methyl-2-pyrazol-1-ylpyridine;hexakis(2-pyrazol-1-ylpyridine);bis(2-pyrazol-1-yl-4-(trifluoromethyl)pyridine)
CID 158490150
Chloroiridium(2+);tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine);iridium;oxosilver;trifluoromethanesulfonic acid;trifluoro(sulfinato)methane
CID 159284224
Cobalt;hexakis(4-ethyl-2-pyrazol-1-ylpyridine);4,4,5,5,6,6-hexafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;tris(4-methyl-2-pyrazol-1-ylpyridine)
CID 161272045
4-[Bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 139145959
Disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);ditetrafluoroborate
CID 139146560
Disilver;bis(4-[di(pyrazol-1-yl)methyl]pyridine);dinitrate
CID 139147450
Disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate
CID 139147452
Disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(difluorophosphinate)
CID 139147454
Disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);diperchlorate
CID 139147455

Frequently Asked Questions

What is the IUPAC name of disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate) (CID 139147453) is disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate) is Cc1cc(C)n(C(c2ccncc2)n2nc(C)cc2C)n1.Cc1cc(C)n(C(c2ccncc2)n2nc(C)cc2C)n1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].
What is the InChIKey of disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate)?
The InChIKey is SGDUTJOYBCMYSW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H19N5.2CHF3O3S.2Ag/c2*1-11-9-13(3)20(18-11)16(15-5-7-17-8-6-15)21-14(4)10-12(2)19-21;2*2-1(3,4)8(5,6)7;;/h2*5-10,16H,1-4H3;2*(H,5,6,7);;/q;;;;2*+1/p-2.
What are the key properties of disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate)?
disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate) has a molecular weight of 1076.60 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139147453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).