6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid

C36H24F2N4O2 — CID 22031141

IUPAC6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(-c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)nc3-c3ccc(F)cc3F)cn12
InChIInChI=1S/C36H24F2N4O2/c37-28-17-18-29(31(38)20-28)34-30(24-16-19-33-39-21-32(35(43)44)41(33)22-24)23-42(40-34)36(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-23H,(H,43,44)
InChIKeyCJWWFFFRPLLGLI-UHFFFAOYSA-N
MW582.61 g/mol
LogP7.68
Rot. Bonds7

About 6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid

6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 22031141) has the molecular formula C36H24F2N4O2 and a molecular weight of 582.61 g/mol. Its IUPAC name is 6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID22031141
Molecular FormulaC36H24F2N4O2
Molecular Weight582.61 g/mol
Exact Mass582.19
IUPAC Name6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(-c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)nc3-c3ccc(F)cc3F)cn12
InChIInChI=1S/C36H24F2N4O2/c37-28-17-18-29(31(38)20-28)34-30(24-16-19-33-39-21-32(35(43)44)41(33)22-24)23-42(40-34)36(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-23H,(H,43,44)
InChIKeyCJWWFFFRPLLGLI-UHFFFAOYSA-N
XLogP7.68
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.61
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid with MolForge

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Related Compounds

US11597728, Example 350
CID 168058663
US9884868, Example 131''
CID 122510562
US9884868, Example 132''
CID 122510603
US9884868, Example 129''
CID 122510700
US11597728, Example 232
CID 146480734
US11744824, Example 21
CID 164709576
US11597728, Example 344
CID 168058657
7-Cyclohexyl-6-(2,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958133
7-Cyclohexyl-6-(3,4-difluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958147
US9981944, Example 73
CID 122478389
US11247989, Example 50
CID 132168888
6-[2-(6-Methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 138706994

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 22031141) is 6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1cnc2ccc(-c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)nc3-c3ccc(F)cc3F)cn12.
What is the InChIKey of 6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is CJWWFFFRPLLGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24F2N4O2/c37-28-17-18-29(31(38)20-28)34-30(24-16-19-33-39-21-32(35(43)44)41(33)22-24)23-42(40-34)36(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-23H,(H,43,44).
What are the key properties of 6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 582.61 g/mol, XLogP of 7.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 22031141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).