2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium)

C36H25F5Ir2N4-2 — CID 157187642

IUPAC2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium)
SMILESCc1cc2cc(-c3[c-]cc(C(F)(F)F)c(-c4ccccc4)c3)nn2cc1C.Cc1ccn2nc(-c3[c-]cc(F)cc3F)cc2c1.[Ir].[Ir]
InChIInChI=1S/C22H16F3N2.C14H9F2N2.2Ir/c1-14-10-18-12-21(26-27(18)13-15(14)2)17-8-9-20(22(23,24)25)19(11-17)16-6-4-3-5-7-16;1-9-4-5-18-11(6-9)8-14(17-18)12-3-2-10(15)7-13(12)16;;/h3-7,9-13H,1-2H3;2,4-8H,1H3;;/q2*-1;;
InChIKeyWNJMLSHCXZYRAA-UHFFFAOYSA-N
MW993.05 g/mol
LogP9.49
Rot. Bonds3

About 2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium)

2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium) (PubChem CID 157187642) has the molecular formula C36H25F5Ir2N4-2 and a molecular weight of 993.05 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium).

Molecular Properties

Compound Name2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium)
PubChem CID157187642
Molecular FormulaC36H25F5Ir2N4-2
Molecular Weight993.05 g/mol
Exact Mass994.13
IUPAC Name2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium)
SMILESCc1cc2cc(-c3[c-]cc(C(F)(F)F)c(-c4ccccc4)c3)nn2cc1C.Cc1ccn2nc(-c3[c-]cc(F)cc3F)cc2c1.[Ir].[Ir]
InChIInChI=1S/C22H16F3N2.C14H9F2N2.2Ir/c1-14-10-18-12-21(26-27(18)13-15(14)2)17-8-9-20(22(23,24)25)19(11-17)16-6-4-3-5-7-16;1-9-4-5-18-11(6-9)8-14(17-18)12-3-2-10(15)7-13(12)16;;/h3-7,9-13H,1-2H3;2,4-8H,1H3;;/q2*-1;;
InChIKeyWNJMLSHCXZYRAA-UHFFFAOYSA-N
XLogP9.49
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.05
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium) with MolForge

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Related Compounds

2-(4-Fluorophenyl)-3-(pyridin-4-yl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 10155254
6-(3,5-Dimethyltriazol-4-yl)-1-[(1,4,4-trifluorocyclohexyl)methyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 90426828
1-[(4,4-Difluorocyclohexyl)methyl]-6-(3,5-dimethyltriazol-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-b]pyridine
CID 118059767
US10023570, Example 582
CID 124200167
Platinum(2+);pyrazol-1-ide;2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131682
3,5-Bis(trifluoromethyl)pyrazol-1-ide;platinum(2+);2-pyridin-2-yl-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 139131685
Bis(2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)pyrazol-1-id-3-yl]pyridine);platinum(2+)
CID 139138252
4-[2,6-Di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
CID 139165520
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
Bis(dichloromethane);platinum(2+);3-(trifluoromethyl)-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyrazol-1-ide;4-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
CID 168338993
2-(4-Fluorophenyl)-3-(2-fluoropyridin-4-yl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 9969692
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 20625479

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium)?
The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium) (CID 157187642) is 2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium).
What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium)?
The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium) is Cc1cc2cc(-c3[c-]cc(C(F)(F)F)c(-c4ccccc4)c3)nn2cc1C.Cc1ccn2nc(-c3[c-]cc(F)cc3F)cc2c1.[Ir].[Ir].
What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium)?
The InChIKey is WNJMLSHCXZYRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N2.C14H9F2N2.2Ir/c1-14-10-18-12-21(26-27(18)13-15(14)2)17-8-9-20(22(23,24)25)19(11-17)16-6-4-3-5-7-16;1-9-4-5-18-11(6-9)8-14(17-18)12-3-2-10(15)7-13(12)16;;/h3-7,9-13H,1-2H3;2,4-8H,1H3;;/q2*-1;;.
What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium)?
2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium) has a molecular weight of 993.05 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyrazolo[1,5-a]pyridine;5,6-dimethyl-2-[3-phenyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyrazolo[1,5-a]pyridine;bis(iridium) is sourced from PubChem (CID 157187642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).