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

C42H29FN4O2 — CID 22031688

IUPAC4-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C42H29FN4O2/c43-36-23-20-30(21-24-36)40-37(32-22-25-39-44-26-38(46(39)27-32)29-16-18-31(19-17-29)41(48)49)28-47(45-40)42(33-10-4-1-5-11-33,34-12-6-2-7-13-34)35-14-8-3-9-15-35/h1-28H,(H,48,49)
InChIKeyAKDZBKQCRSNRIZ-UHFFFAOYSA-N
MW640.72 g/mol
LogP9.21
Rot. Bonds8

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

4-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid (PubChem CID 22031688) has the molecular formula C42H29FN4O2 and a molecular weight of 640.72 g/mol. Its IUPAC name is 4-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid
PubChem CID22031688
Molecular FormulaC42H29FN4O2
Molecular Weight640.72 g/mol
Exact Mass640.23
IUPAC Name4-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C42H29FN4O2/c43-36-23-20-30(21-24-36)40-37(32-22-25-39-44-26-38(46(39)27-32)29-16-18-31(19-17-29)41(48)49)28-47(45-40)42(33-10-4-1-5-11-33,34-12-6-2-7-13-34)35-14-8-3-9-15-35/h1-28H,(H,48,49)
InChIKeyAKDZBKQCRSNRIZ-UHFFFAOYSA-N
XLogP9.21
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.72
LogP ≤ 59.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid 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 4-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid?
The IUPAC name of 4-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid (CID 22031688) is 4-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid.
What is the SMILES notation for 4-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid?
The canonical SMILES for 4-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid is O=C(O)c1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1.
What is the InChIKey of 4-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid?
The InChIKey is AKDZBKQCRSNRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29FN4O2/c43-36-23-20-30(21-24-36)40-37(32-22-25-39-44-26-38(46(39)27-32)29-16-18-31(19-17-29)41(48)49)28-47(45-40)42(33-10-4-1-5-11-33,34-12-6-2-7-13-34)35-14-8-3-9-15-35/h1-28H,(H,48,49).
What are the key properties of 4-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid?
4-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid has a molecular weight of 640.72 g/mol, XLogP of 9.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid is sourced from PubChem (CID 22031688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).