4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid

C19H12FN3O2 — CID 134327583

IUPAC4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2n[nH]c3ccc(-c4ccccc4F)nc23)cc1
InChIInChI=1S/C19H12FN3O2/c20-14-4-2-1-3-13(14)15-9-10-16-18(21-15)17(23-22-16)11-5-7-12(8-6-11)19(24)25/h1-10H,(H,22,23)(H,24,25)
InChIKeyPTSPXMVLZLUKNN-UHFFFAOYSA-N
MW333.32 g/mol
LogP4.13
Rot. Bonds3

About 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid

4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid (PubChem CID 134327583) has the molecular formula C19H12FN3O2 and a molecular weight of 333.32 g/mol. Its IUPAC name is 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid
PubChem CID134327583
Molecular FormulaC19H12FN3O2
Molecular Weight333.32 g/mol
Exact Mass333.09
IUPAC Name4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2n[nH]c3ccc(-c4ccccc4F)nc23)cc1
InChIInChI=1S/C19H12FN3O2/c20-14-4-2-1-3-13(14)15-9-10-16-18(21-15)17(23-22-16)11-5-7-12(8-6-11)19(24)25/h1-10H,(H,22,23)(H,24,25)
InChIKeyPTSPXMVLZLUKNN-UHFFFAOYSA-N
XLogP4.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzoic acid
CID 45487437
4-[5-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-3-yl]-1H-pyrrol-2-yl]benzoic acid
CID 135779224
MEK4-IN-6ff
CID 155410731
2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid
CID 135445358
US11242343, Example 53
CID 134327566
4-{N-[3-(4-Fluorophenyl)-1H-Indazol-5-Yl]Carbamoyl}Benzoic Acid
CID 22479855
4-[N-(3-(4-Pyridyl)-1H-Indazol-5-Yl)Carbamoyl]Benzoic Acid
CID 22479866
3-Fluoro-4-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazolo[4,3-b]pyridin-3-yl]benzoic acid
CID 73294696
US11242343, Example 57
CID 134327617
3-[1-(4-fluoroanilino)ethenyl]-1H-indazole-5-carboxylic acid
CID 129198300
3-Fluoro-4-[1-[(2,3,6-trifluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]benzoic acid
CID 73294695
4-[1-[(2,6-Difluorophenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
CID 73294697

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid?
The IUPAC name of 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid (CID 134327583) is 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid.
What is the SMILES notation for 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid?
The canonical SMILES for 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid is O=C(O)c1ccc(-c2n[nH]c3ccc(-c4ccccc4F)nc23)cc1.
What is the InChIKey of 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid?
The InChIKey is PTSPXMVLZLUKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2/c20-14-4-2-1-3-13(14)15-9-10-16-18(21-15)17(23-22-16)11-5-7-12(8-6-11)19(24)25/h1-10H,(H,22,23)(H,24,25).
What are the key properties of 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid?
4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid has a molecular weight of 333.32 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzoic acid is sourced from PubChem (CID 134327583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).