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

C18H16FN3O4 — CID 69069713

IUPAC[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
SMILESCOc1ccc(F)cc1-c1ccc2c(NC(=O)COC(C)=O)n[nH]c2c1
InChIInChI=1S/C18H16FN3O4/c1-10(23)26-9-17(24)20-18-13-5-3-11(7-15(13)21-22-18)14-8-12(19)4-6-16(14)25-2/h3-8H,9H2,1-2H3,(H2,20,21,22,24)
InChIKeyPXXZGQYXAOMTHN-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.88
Rot. Bonds5

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

[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate (PubChem CID 69069713) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
PubChem CID69069713
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
SMILESCOc1ccc(F)cc1-c1ccc2c(NC(=O)COC(C)=O)n[nH]c2c1
InChIInChI=1S/C18H16FN3O4/c1-10(23)26-9-17(24)20-18-13-5-3-11(7-15(13)21-22-18)14-8-12(19)4-6-16(14)25-2/h3-8H,9H2,1-2H3,(H2,20,21,22,24)
InChIKeyPXXZGQYXAOMTHN-UHFFFAOYSA-N
XLogP2.88
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69064232
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenylmethoxyacetamide
CID 69064500
3-cyclopentyl-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]propanamide
CID 69064491
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69070303
2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69069464
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]furan-2-carboxamide
CID 69064766
2-methoxy-N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]acetamide
CID 69062660
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69070154
N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide
CID 69065883
[2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69060604
N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69064975
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]-2,4-difluorobenzamide
CID 69060405

Frequently Asked Questions

What is the IUPAC name of [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate?
The IUPAC name of [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate (CID 69069713) is [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate is COc1ccc(F)cc1-c1ccc2c(NC(=O)COC(C)=O)n[nH]c2c1.
What is the InChIKey of [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate?
The InChIKey is PXXZGQYXAOMTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-10(23)26-9-17(24)20-18-13-5-3-11(7-15(13)21-22-18)14-8-12(19)4-6-16(14)25-2/h3-8H,9H2,1-2H3,(H2,20,21,22,24).
What are the key properties of [2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate?
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate has a molecular weight of 357.34 g/mol, XLogP of 2.88, 5 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-oxoethyl] acetate is sourced from PubChem (CID 69069713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).