[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate

C24H20FN3O4 — CID 69070303

IUPAC[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCOc1ccc(F)cc1-c1ccc2c(NC(=O)C(OC(C)=O)c3ccccc3)n[nH]c2c1
InChIInChI=1S/C24H20FN3O4/c1-14(29)32-22(15-6-4-3-5-7-15)24(30)26-23-18-10-8-16(12-20(18)27-28-23)19-13-17(25)9-11-21(19)31-2/h3-13,22H,1-2H3,(H2,26,27,28,30)
InChIKeyVVIYJRZMFFYASL-UHFFFAOYSA-N
MW433.44 g/mol
LogP4.62
Rot. Bonds6

About [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate

[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate (PubChem CID 69070303) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
PubChem CID69070303
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC Name[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCOc1ccc(F)cc1-c1ccc2c(NC(=O)C(OC(C)=O)c3ccccc3)n[nH]c2c1
InChIInChI=1S/C24H20FN3O4/c1-14(29)32-22(15-6-4-3-5-7-15)24(30)26-23-18-10-8-16(12-20(18)27-28-23)19-13-17(25)9-11-21(19)31-2/h3-13,22H,1-2H3,(H2,26,27,28,30)
InChIKeyVVIYJRZMFFYASL-UHFFFAOYSA-N
XLogP4.62
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate with MolForge

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Related Compounds

N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69070154
[2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69059540
[2-[[6-(2-ethoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69069627
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69069713
[2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69059417
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenylmethoxyacetamide
CID 69064500
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]furan-2-carboxamide
CID 69064766
2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69069464
N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69064975
3-cyclopentyl-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]propanamide
CID 69064491
2-methoxy-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
CID 69063393
N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide
CID 69065644

Frequently Asked Questions

What is the IUPAC name of [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate (CID 69070303) is [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate is COc1ccc(F)cc1-c1ccc2c(NC(=O)C(OC(C)=O)c3ccccc3)n[nH]c2c1.
What is the InChIKey of [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
The InChIKey is VVIYJRZMFFYASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-14(29)32-22(15-6-4-3-5-7-15)24(30)26-23-18-10-8-16(12-20(18)27-28-23)19-13-17(25)9-11-21(19)31-2/h3-13,22H,1-2H3,(H2,26,27,28,30).
What are the key properties of [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate has a molecular weight of 433.44 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 69070303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).