2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid

C24H21FN2O2 — CID 59251106

IUPAC2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid
SMILESCCC(C(=O)O)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H21FN2O2/c1-2-21(24(28)29)23(16-6-4-3-5-7-16)17-8-13-22-18(14-17)15-26-27(22)20-11-9-19(25)10-12-20/h3-15,21,23H,2H2,1H3,(H,28,29)
InChIKeyKQKTYMAHOVJQDT-UHFFFAOYSA-N
MW388.44 g/mol
LogP5.41
Rot. Bonds6

About 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid

2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid (PubChem CID 59251106) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid
PubChem CID59251106
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid
SMILESCCC(C(=O)O)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H21FN2O2/c1-2-21(24(28)29)23(16-6-4-3-5-7-16)17-8-13-22-18(14-17)15-26-27(22)20-11-9-19(25)10-12-20/h3-15,21,23H,2H2,1H3,(H,28,29)
InChIKeyKQKTYMAHOVJQDT-UHFFFAOYSA-N
XLogP5.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid?
The IUPAC name of 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid (CID 59251106) is 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid?
The canonical SMILES for 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid is CCC(C(=O)O)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid?
The InChIKey is KQKTYMAHOVJQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-2-21(24(28)29)23(16-6-4-3-5-7-16)17-8-13-22-18(14-17)15-26-27(22)20-11-9-19(25)10-12-20/h3-15,21,23H,2H2,1H3,(H,28,29).
What are the key properties of 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid?
2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid has a molecular weight of 388.44 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]butanoic acid is sourced from PubChem (CID 59251106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).