4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid

C23H15FN4O2 — CID 22032464

IUPAC4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C23H15FN4O2/c24-18-8-5-15(6-9-18)22-19(11-26-27-22)17-7-10-21-25-12-20(28(21)13-17)14-1-3-16(4-2-14)23(29)30/h1-13H,(H,26,27)(H,29,30)
InChIKeyPRLBKPGGWYPBAK-UHFFFAOYSA-N
MW398.40 g/mol
LogP4.90
Rot. Bonds4

About 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid

4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid (PubChem CID 22032464) has the molecular formula C23H15FN4O2 and a molecular weight of 398.40 g/mol. Its IUPAC name is 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid
PubChem CID22032464
Molecular FormulaC23H15FN4O2
Molecular Weight398.40 g/mol
Exact Mass398.12
IUPAC Name4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C23H15FN4O2/c24-18-8-5-15(6-9-18)22-19(11-26-27-22)17-7-10-21-25-12-20(28(21)13-17)14-1-3-16(4-2-14)23(29)30/h1-13H,(H,26,27)(H,29,30)
InChIKeyPRLBKPGGWYPBAK-UHFFFAOYSA-N
XLogP4.90
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenyl-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 7064016
N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 91933887
N-[6-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118408591
6-(4-Benzoylphenyl)-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196213
4-[1-[3-(1-piperidyl)propyl]-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-5-yl]benzoic acid
CID 71463558
4-[2-amino-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethyl)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-propan-2-ylbenzoic acid
CID 162644601
4-[(E)-[[1-(1H-benzimidazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzoic acid
CID 10092260
4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 11057468
3-phenyl-6-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16018596
4-[8-(2,6-Dimethylphenylamino)imidazo[1,5-a]-pyrazin-5-yl]benzoic acid
CID 44422549
4-[6-(Cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 44573514
US10214537, Example 13
CID 132210105

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid?
The IUPAC name of 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid (CID 22032464) is 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid.
What is the SMILES notation for 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid?
The canonical SMILES for 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid is O=C(O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)cc1.
What is the InChIKey of 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid?
The InChIKey is PRLBKPGGWYPBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O2/c24-18-8-5-15(6-9-18)22-19(11-26-27-22)17-7-10-21-25-12-20(28(21)13-17)14-1-3-16(4-2-14)23(29)30/h1-13H,(H,26,27)(H,29,30).
What are the key properties of 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid?
4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid has a molecular weight of 398.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzoic acid is sourced from PubChem (CID 22032464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).