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

C25H23FN2O2 — CID 59251152

IUPAC2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentanoic acid
SMILESCCCC(C(=O)O)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C25H23FN2O2/c1-2-6-22(25(29)30)24(17-7-4-3-5-8-17)18-9-14-23-19(15-18)16-27-28(23)21-12-10-20(26)11-13-21/h3-5,7-16,22,24H,2,6H2,1H3,(H,29,30)
InChIKeyVYUDXJSERNMCOR-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.80
Rot. Bonds7

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

2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentanoic acid (PubChem CID 59251152) has the molecular formula C25H23FN2O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentanoic acid
PubChem CID59251152
Molecular FormulaC25H23FN2O2
Molecular Weight402.47 g/mol
Exact Mass402.17
IUPAC Name2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentanoic acid
SMILESCCCC(C(=O)O)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C25H23FN2O2/c1-2-6-22(25(29)30)24(17-7-4-3-5-8-17)18-9-14-23-19(15-18)16-27-28(23)21-12-10-20(26)11-13-21/h3-5,7-16,22,24H,2,6H2,1H3,(H,29,30)
InChIKeyVYUDXJSERNMCOR-UHFFFAOYSA-N
XLogP5.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-Phenyl-3-(2-phenylethyl)indol-5-yl]propanoic acid
CID 25052581
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-2-phenylacetamide
CID 59251049
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3,3-dimethylbutanamide
CID 59251088
1-Phenyl-3-(phenylmethyl)-1H-indole-5-propanoic acid
CID 59317854
3-[1-(4-Fluorophenyl)-3-(2-phenylethyl)indol-5-yl]propanoic acid
CID 59317915
2,2,2-trifluoro-1-(1-(4-fluorophenyl)-1H-indazol-5-yl)-1-m-tolylethanol
CID 46888416
(4R)-4-[(1S,2R,13S,14S,17R,18R)-2,9,9,18-tetramethyl-7-phenyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,10-trien-17-yl]pentanoic acid
CID 71450558
2-[7-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-1-methylindazol-5-yl]acetic acid
CID 118715118
2-[7-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-2-methylindazol-5-yl]acetic acid
CID 118715119
trans-(1S,2S)-2-[4-[3-methyl-1-(4-methylphenyl)indazol-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137648938
trans-(1S,2S)-2-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137656733
trans-(1S,2S)-2-[4-[4-fluoro-3-methyl-1-(4-methylphenyl)indazol-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137657813

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentanoic acid?
The IUPAC name of 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentanoic acid (CID 59251152) is 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentanoic acid.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentanoic acid?
The canonical SMILES for 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentanoic acid is CCCC(C(=O)O)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentanoic acid?
The InChIKey is VYUDXJSERNMCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2/c1-2-6-22(25(29)30)24(17-7-4-3-5-8-17)18-9-14-23-19(15-18)16-27-28(23)21-12-10-20(26)11-13-21/h3-5,7-16,22,24H,2,6H2,1H3,(H,29,30).
What are the key properties of 2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentanoic acid?
2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentanoic acid has a molecular weight of 402.47 g/mol, XLogP of 5.80, 7 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]pentanoic acid is sourced from PubChem (CID 59251152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).