4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid

C22H17FN2O2 — CID 22480198

IUPAC4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1
InChIInChI=1S/C22H17FN2O2/c23-18-10-8-16(9-11-18)21-19-13-15(5-12-20(19)24-25-21)2-1-14-3-6-17(7-4-14)22(26)27/h3-13H,1-2H2,(H,24,25)(H,26,27)
InChIKeyRWMSHPMFVSBUIY-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.85
Rot. Bonds5

About 4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid

4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid (PubChem CID 22480198) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid
PubChem CID22480198
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1
InChIInChI=1S/C22H17FN2O2/c23-18-10-8-16(9-11-18)21-19-13-15(5-12-20(19)24-25-21)2-1-14-3-6-17(7-4-14)22(26)27/h3-13H,1-2H2,(H,24,25)(H,26,27)
InChIKeyRWMSHPMFVSBUIY-UHFFFAOYSA-N
XLogP4.85
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid?
The IUPAC name of 4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid (CID 22480198) is 4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid is O=C(O)c1ccc(CCc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1.
What is the InChIKey of 4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid?
The InChIKey is RWMSHPMFVSBUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c23-18-10-8-16(9-11-18)21-19-13-15(5-12-20(19)24-25-21)2-1-14-3-6-17(7-4-14)22(26)27/h3-13H,1-2H2,(H,24,25)(H,26,27).
What are the key properties of 4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid?
4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid has a molecular weight of 360.39 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(4-fluorophenyl)-1H-indazol-5-yl]ethyl]benzoic acid is sourced from PubChem (CID 22480198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).