1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide

C33H26F5IrN8-5 — CID 162286658

IUPAC1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide
SMILESCc1c(C(F)(F)F)n[n-]c1-c1nc(-c2[c-]cc(F)cc2F)c2ccccn12.Cc1cc(N2C=CN(C)[CH-]2)[c-]c(N2C=CN(C)[CH-]2)c1.[Ir]
InChIInChI=1S/C18H9F5N4.C15H17N4.Ir/c1-9-14(25-26-16(9)18(21,22)23)17-24-15(13-4-2-3-7-27(13)17)11-6-5-10(19)8-12(11)20;1-13-8-14(18-6-4-16(2)11-18)10-15(9-13)19-7-5-17(3)12-19;/h2-5,7-8H,1H3;4-9,11-12H,1-3H3;/q-2;-3;
InChIKeyOYQCETSPHGIYOV-UHFFFAOYSA-N
MW821.83 g/mol
LogP6.90
Rot. Bonds4

About 1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide

1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide (PubChem CID 162286658) has the molecular formula C33H26F5IrN8-5 and a molecular weight of 821.83 g/mol. Its IUPAC name is 1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide.

Molecular Properties

Compound Name1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide
PubChem CID162286658
Molecular FormulaC33H26F5IrN8-5
Molecular Weight821.83 g/mol
Exact Mass822.19
IUPAC Name1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide
SMILESCc1c(C(F)(F)F)n[n-]c1-c1nc(-c2[c-]cc(F)cc2F)c2ccccn12.Cc1cc(N2C=CN(C)[CH-]2)[c-]c(N2C=CN(C)[CH-]2)c1.[Ir]
InChIInChI=1S/C18H9F5N4.C15H17N4.Ir/c1-9-14(25-26-16(9)18(21,22)23)17-24-15(13-4-2-3-7-27(13)17)11-6-5-10(19)8-12(11)20;1-13-8-14(18-6-4-16(2)11-18)10-15(9-13)19-7-5-17(3)12-19;/h2-5,7-8H,1H3;4-9,11-12H,1-3H3;/q-2;-3;
InChIKeyOYQCETSPHGIYOV-UHFFFAOYSA-N
XLogP6.90
TPSA57.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.83
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide?
The IUPAC name of 1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide (CID 162286658) is 1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide.
What is the SMILES notation for 1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide?
The canonical SMILES for 1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide is Cc1c(C(F)(F)F)n[n-]c1-c1nc(-c2[c-]cc(F)cc2F)c2ccccn12.Cc1cc(N2C=CN(C)[CH-]2)[c-]c(N2C=CN(C)[CH-]2)c1.[Ir].
What is the InChIKey of 1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide?
The InChIKey is OYQCETSPHGIYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F5N4.C15H17N4.Ir/c1-9-14(25-26-16(9)18(21,22)23)17-24-15(13-4-2-3-7-27(13)17)11-6-5-10(19)8-12(11)20;1-13-8-14(18-6-4-16(2)11-18)10-15(9-13)19-7-5-17(3)12-19;/h2-5,7-8H,1H3;4-9,11-12H,1-3H3;/q-2;-3;.
What are the key properties of 1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide?
1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide has a molecular weight of 821.83 g/mol, XLogP of 6.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzene-6-id-1-yl)-3-[4-methyl-3-(trifluoromethyl)pyrazol-1-id-5-yl]imidazo[1,5-a]pyridine;iridium;1-methyl-3-[3-methyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]-2H-imidazol-2-ide is sourced from PubChem (CID 162286658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).