4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid

C24H18F3N3O3 — CID 155402746

IUPAC4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)cc1
InChIInChI=1S/C24H18F3N3O3/c25-24(26,27)19-9-5-15(6-10-19)12-18-2-1-11-30-21(18)20(14-29-30)22(31)28-13-16-3-7-17(8-4-16)23(32)33/h1-11,14H,12-13H2,(H,28,31)(H,32,33)
InChIKeySJMURKDHKJFRAC-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.57
Rot. Bonds6

About 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid

4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid (PubChem CID 155402746) has the molecular formula C24H18F3N3O3 and a molecular weight of 453.42 g/mol. Its IUPAC name is 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid
PubChem CID155402746
Molecular FormulaC24H18F3N3O3
Molecular Weight453.42 g/mol
Exact Mass453.13
IUPAC Name4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)cc1
InChIInChI=1S/C24H18F3N3O3/c25-24(26,27)19-9-5-15(6-10-19)12-18-2-1-11-30-21(18)20(14-29-30)22(31)28-13-16-3-7-17(8-4-16)23(32)33/h1-11,14H,12-13H2,(H,28,31)(H,32,33)
InChIKeySJMURKDHKJFRAC-UHFFFAOYSA-N
XLogP4.57
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

sodium;methanol;methyl 4-[(1S)-1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]ethyl]benzoate;4-[(1S)-1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]ethyl]benzoic acid;hydroxide
CID 167602744
4-[[[6-(3,4-difluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]methyl]benzoic acid
CID 176772899
methyl 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 155402700
1-[4-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 155391288
N-[1-(4-methylphenyl)cyclopropyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 167654697
spiro[3.3]heptane-2-carboxylic acid;4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 155739175
4-[[(2-benzylbenzoyl)amino]methyl]benzoic acid
CID 45426449
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
4-[[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 100634698
4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 82212449
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 71548055
4-[[[6-(2-chlorophenyl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]methyl]benzoic acid
CID 24772031

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid (CID 155402746) is 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2cnn3cccc(Cc4ccc(C(F)(F)F)cc4)c23)cc1.
What is the InChIKey of 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid?
The InChIKey is SJMURKDHKJFRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3/c25-24(26,27)19-9-5-15(6-10-19)12-18-2-1-11-30-21(18)20(14-29-30)22(31)28-13-16-3-7-17(8-4-16)23(32)33/h1-11,14H,12-13H2,(H,28,31)(H,32,33).
What are the key properties of 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid?
4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid has a molecular weight of 453.42 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 155402746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).