1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone

C18H15F2N3O3 — CID 163233887

IUPAC1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone
SMILESCC(=O)N1CC(Oc2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)C1
InChIInChI=1S/C18H15F2N3O3/c1-10(24)22-8-14(9-22)26-13-2-3-16-11(4-13)7-21-23(16)12-5-15(19)18(20)17(25)6-12/h2-7,14,25H,8-9H2,1H3
InChIKeyRFWWYYUXGGZWIP-UHFFFAOYSA-N
MW359.33 g/mol
LogP2.62
Rot. Bonds3

About 1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone

1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone (PubChem CID 163233887) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is 1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone
PubChem CID163233887
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone
SMILESCC(=O)N1CC(Oc2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)C1
InChIInChI=1S/C18H15F2N3O3/c1-10(24)22-8-14(9-22)26-13-2-3-16-11(4-13)7-21-23(16)12-5-15(19)18(20)17(25)6-12/h2-7,14,25H,8-9H2,1H3
InChIKeyRFWWYYUXGGZWIP-UHFFFAOYSA-N
XLogP2.62
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-((1S,2R)-2-((1-(4-fluorophenyl)-1H-indazol-5-yl)oxy)-2-(3-methoxyphenyl)-1-methylethyl)acetamide
CID 24825740
2,2,2-Trifluoro-N-[(1r,2s)-1-{[1-(4-Fluorophenyl)-1h-Indazol-5-Yl]oxy}-1-Phenylpropan-2-Yl]acetamide
CID 25013322
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]-2,2-dimethyl-propanamide
CID 25011854
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-hydroxyphenyl)propan-2-yl]acetamide
CID 25012028
N-[(1R,2S)-1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-propan-2-yl]-2-hydroxy-acetamide
CID 25013489
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 25013490
2,2-difluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-methyl-1-phenylbutan-2-yl]propanamide
CID 145965573
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-3-methyl-1-phenylbutan-2-yl]acetamide
CID 145976724
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]acetamide
CID 25014203
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]-3-methoxy-propanamide
CID 25014204
[3-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl] hydrogen sulfate
CID 137648403
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylphenyl)propan-2-yl]acetamide
CID 162657091

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone (CID 163233887) is 1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone is CC(=O)N1CC(Oc2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)C1.
What is the InChIKey of 1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone?
The InChIKey is RFWWYYUXGGZWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-10(24)22-8-14(9-22)26-13-2-3-16-11(4-13)7-21-23(16)12-5-15(19)18(20)17(25)6-12/h2-7,14,25H,8-9H2,1H3.
What are the key properties of 1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone?
1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone has a molecular weight of 359.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]oxyazetidin-1-yl]ethanone is sourced from PubChem (CID 163233887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).