2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid

C17H11F4N3O3 — CID 159504177

IUPAC2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid
SMILESO=C(O)Cn1cc2cc(CC(=O)c3cccc(C(F)(F)F)n3)c(F)cc2n1
InChIInChI=1S/C17H11F4N3O3/c18-11-6-13-10(7-24(23-13)8-16(26)27)4-9(11)5-14(25)12-2-1-3-15(22-12)17(19,20)21/h1-4,6-7H,5,8H2,(H,26,27)
InChIKeyLZTQXDYUJNIODW-UHFFFAOYSA-N
MW381.29 g/mol
LogP3.10
Rot. Bonds5

About 2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid

2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid (PubChem CID 159504177) has the molecular formula C17H11F4N3O3 and a molecular weight of 381.29 g/mol. Its IUPAC name is 2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid
PubChem CID159504177
Molecular FormulaC17H11F4N3O3
Molecular Weight381.29 g/mol
Exact Mass381.07
IUPAC Name2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid
SMILESO=C(O)Cn1cc2cc(CC(=O)c3cccc(C(F)(F)F)n3)c(F)cc2n1
InChIInChI=1S/C17H11F4N3O3/c18-11-6-13-10(7-24(23-13)8-16(26)27)4-9(11)5-14(25)12-2-1-3-15(22-12)17(19,20)21/h1-4,6-7H,5,8H2,(H,26,27)
InChIKeyLZTQXDYUJNIODW-UHFFFAOYSA-N
XLogP3.10
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-fluoro-5-[2-[6-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-oxoethyl]indazol-2-yl]acetic acid
CID 160602938
3-[6-methoxy-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]-2-methylpropanoic acid
CID 147566197
2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 147912054
2-[5-[2-(6-bromo-2-pyridinyl)-2-oxoethyl]-6-methoxyindazol-2-yl]acetic acid
CID 149455991
2-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-6-ethoxyindazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 161363503
2-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158362016
2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157346296
2-[5-[[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]indazol-2-yl]acetic acid
CID 123540870
2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 159456720
2-[2-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157418877
2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 148748797
2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158482410

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid (CID 159504177) is 2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid is O=C(O)Cn1cc2cc(CC(=O)c3cccc(C(F)(F)F)n3)c(F)cc2n1.
What is the InChIKey of 2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid?
The InChIKey is LZTQXDYUJNIODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O3/c18-11-6-13-10(7-24(23-13)8-16(26)27)4-9(11)5-14(25)12-2-1-3-15(22-12)17(19,20)21/h1-4,6-7H,5,8H2,(H,26,27).
What are the key properties of 2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid?
2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid has a molecular weight of 381.29 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]acetic acid is sourced from PubChem (CID 159504177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).