1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone

C20H20FN3O2 — CID 163234431

IUPAC1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)CC1
InChIInChI=1S/C20H20FN3O2/c1-13(25)23-8-6-14(7-9-23)15-2-5-19-16(10-15)12-22-24(19)17-3-4-18(21)20(26)11-17/h2-5,10-12,14,26H,6-9H2,1H3
InChIKeyFOXFZYSAUJKUIX-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.60
Rot. Bonds2

About 1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone

1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 163234431) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone
PubChem CID163234431
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)CC1
InChIInChI=1S/C20H20FN3O2/c1-13(25)23-8-6-14(7-9-23)15-2-5-19-16(10-15)12-22-24(19)17-3-4-18(21)20(26)11-17/h2-5,10-12,14,26H,6-9H2,1H3
InChIKeyFOXFZYSAUJKUIX-UHFFFAOYSA-N
XLogP3.60
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone (CID 163234431) is 1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2ccc3c(cnn3-c3ccc(F)c(O)c3)c2)CC1.
What is the InChIKey of 1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is FOXFZYSAUJKUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13(25)23-8-6-14(7-9-23)15-2-5-19-16(10-15)12-22-24(19)17-3-4-18(21)20(26)11-17/h2-5,10-12,14,26H,6-9H2,1H3.
What are the key properties of 1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone?
1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 353.40 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-fluoro-3-hydroxyphenyl)indazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 163234431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).