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

C36H25FN4O2 — CID 22031339

IUPAC6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(-c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)nc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C36H25FN4O2/c37-30-19-16-25(17-20-30)34-31(26-18-21-33-38-22-32(35(42)43)40(33)23-26)24-41(39-34)36(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-24H,(H,42,43)
InChIKeyQENYVPMJAKNEMO-UHFFFAOYSA-N
MW564.62 g/mol
LogP7.54
Rot. Bonds7

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

6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 22031339) has the molecular formula C36H25FN4O2 and a molecular weight of 564.62 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID22031339
Molecular FormulaC36H25FN4O2
Molecular Weight564.62 g/mol
Exact Mass564.20
IUPAC Name6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc2ccc(-c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)nc3-c3ccc(F)cc3)cn12
InChIInChI=1S/C36H25FN4O2/c37-30-19-16-25(17-20-30)34-31(26-18-21-33-38-22-32(35(42)43)40(33)23-26)24-41(39-34)36(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-24H,(H,42,43)
InChIKeyQENYVPMJAKNEMO-UHFFFAOYSA-N
XLogP7.54
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.62
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 22031339) is 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(4-fluorophenyl)-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)cc3)cn12.
What is the InChIKey of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is QENYVPMJAKNEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25FN4O2/c37-30-19-16-25(17-20-30)34-31(26-18-21-33-38-22-32(35(42)43)40(33)23-26)24-41(39-34)36(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-24H,(H,42,43).
What are the key properties of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 564.62 g/mol, XLogP of 7.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 22031339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).