3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid

C24H16F2N4O2 — CID 73295204

IUPAC3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nn(Cc3ccccc3-n3cccn3)c3cccc(F)c23)c(F)c1
InChIInChI=1S/C24H16F2N4O2/c25-18-6-3-8-21-22(18)23(17-10-9-15(24(31)32)13-19(17)26)28-30(21)14-16-5-1-2-7-20(16)29-12-4-11-27-29/h1-13H,14H2,(H,31,32)
InChIKeyYUPMGLZSHHVNCQ-UHFFFAOYSA-N
MW430.41 g/mol
LogP4.91
Rot. Bonds5

About 3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid

3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid (PubChem CID 73295204) has the molecular formula C24H16F2N4O2 and a molecular weight of 430.41 g/mol. Its IUPAC name is 3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid
PubChem CID73295204
Molecular FormulaC24H16F2N4O2
Molecular Weight430.41 g/mol
Exact Mass430.12
IUPAC Name3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nn(Cc3ccccc3-n3cccn3)c3cccc(F)c23)c(F)c1
InChIInChI=1S/C24H16F2N4O2/c25-18-6-3-8-21-22(18)23(17-10-9-15(24(31)32)13-19(17)26)28-30(21)14-16-5-1-2-7-20(16)29-12-4-11-27-29/h1-13H,14H2,(H,31,32)
InChIKeyYUPMGLZSHHVNCQ-UHFFFAOYSA-N
XLogP4.91
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-Ethyl-1h-Indol-3-Yl)-1-Methyl-1h-Pyrazole-5-Carboxylic Acid
CID 122164592
Ethyl 4-[1-[(2-fluorophenyl)methyl]indazol-3-yl]benzoate
CID 23120782
6-[(2-Phenyl-6-vinylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151150
6-[[2-Phenyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 60151152
6-[(6-Fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704854
4-[1-[2-[3-(1-Methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxopyridazin-3-yl]-2-(trifluoromethyl)benzoic acid
CID 168283145
Ethyl 4-[1-[(4-fluorophenyl)methyl]indazol-3-yl]benzoate
CID 44451675
Ethyl 4-[1-[(3-fluorophenyl)methyl]indazol-3-yl]benzoate
CID 44451701
Methyl 4-(1-benzylindazol-3-yl)benzoate
CID 44451844
Ethyl 4-[1-(pyridin-2-ylmethyl)indazol-3-yl]benzoate
CID 44451921
3-[[6-[1-[(4-Fluorophenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 56589588
6-Phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid
CID 71601937

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid?
The IUPAC name of 3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid (CID 73295204) is 3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid is O=C(O)c1ccc(-c2nn(Cc3ccccc3-n3cccn3)c3cccc(F)c23)c(F)c1.
What is the InChIKey of 3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid?
The InChIKey is YUPMGLZSHHVNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O2/c25-18-6-3-8-21-22(18)23(17-10-9-15(24(31)32)13-19(17)26)28-30(21)14-16-5-1-2-7-20(16)29-12-4-11-27-29/h1-13H,14H2,(H,31,32).
What are the key properties of 3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid?
3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid has a molecular weight of 430.41 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid is sourced from PubChem (CID 73295204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).