2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid

C17H15FN2O3 — CID 155588706

IUPAC2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
SMILESCOc1ccc(Cn2cc3c(F)cc(CC(=O)O)cc3n2)cc1
InChIInChI=1S/C17H15FN2O3/c1-23-13-4-2-11(3-5-13)9-20-10-14-15(18)6-12(8-17(21)22)7-16(14)19-20/h2-7,10H,8-9H2,1H3,(H,21,22)
InChIKeyXEPSNHXUTTWALX-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.86
Rot. Bonds5

About 2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid

2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid (PubChem CID 155588706) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid.

Molecular Properties

Compound Name2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
PubChem CID155588706
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
SMILESCOc1ccc(Cn2cc3c(F)cc(CC(=O)O)cc3n2)cc1
InChIInChI=1S/C17H15FN2O3/c1-23-13-4-2-11(3-5-13)9-20-10-14-15(18)6-12(8-17(21)22)7-16(14)19-20/h2-7,10H,8-9H2,1H3,(H,21,22)
InChIKeyXEPSNHXUTTWALX-UHFFFAOYSA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-fluoro-2-[(4-hydroxyphenyl)methyl]indazol-6-yl]acetic acid
CID 164766416
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
CID 118618664
1-[3-(difluoromethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 66668959
2-[(4-methoxyphenyl)methyl]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 154637502
butanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid
CID 70282538
2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
CID 155588748
sodium;hydride;1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-3-sulfinic acid
CID 175439861
[3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol
CID 174330913
2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid
CID 20525674
2-benzyl-5-fluoroindazole-6-carboxylic acid
CID 169188080
3-[4-[[2-[(4-fluorophenyl)methyl]indazol-6-yl]methoxy]phenyl]hex-4-ynoic acid
CID 90133221
2-[4-[(4-methoxyphenyl)methylsulfinyl]phenyl]acetic acid
CID 64927206

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid?
The IUPAC name of 2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid (CID 155588706) is 2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid.
What is the SMILES notation for 2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid?
The canonical SMILES for 2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid is COc1ccc(Cn2cc3c(F)cc(CC(=O)O)cc3n2)cc1.
What is the InChIKey of 2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid?
The InChIKey is XEPSNHXUTTWALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-23-13-4-2-11(3-5-13)9-20-10-14-15(18)6-12(8-17(21)22)7-16(14)19-20/h2-7,10H,8-9H2,1H3,(H,21,22).
What are the key properties of 2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid?
2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid has a molecular weight of 314.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid is sourced from PubChem (CID 155588706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).