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

C17H13F2N3O3 — CID 69064232

IUPAC[2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12
InChIInChI=1S/C17H13F2N3O3/c1-9(23)25-8-16(24)20-17-12-4-2-10(6-15(12)21-22-17)13-7-11(18)3-5-14(13)19/h2-7H,8H2,1H3,(H2,20,21,22,24)
InChIKeyOLSZNYCUUDHTCY-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.01
Rot. Bonds4

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

[2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate (PubChem CID 69064232) has the molecular formula C17H13F2N3O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is [2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
PubChem CID69064232
Molecular FormulaC17H13F2N3O3
Molecular Weight345.31 g/mol
Exact Mass345.09
IUPAC Name[2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12
InChIInChI=1S/C17H13F2N3O3/c1-9(23)25-8-16(24)20-17-12-4-2-10(6-15(12)21-22-17)13-7-11(18)3-5-14(13)19/h2-7H,8H2,1H3,(H2,20,21,22,24)
InChIKeyOLSZNYCUUDHTCY-UHFFFAOYSA-N
XLogP3.01
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate with MolForge

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Related Compounds

[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69069713
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-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenylmethoxyacetamide
CID 69064500
2,3,6-trifluoro-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69069464
3-cyclopentyl-N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]propanamide
CID 69064491
N-[6-(2-fluorophenyl)-1H-indazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 69061853
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69070303
2-(4-chlorophenoxy)-N-[6-(2-ethoxyphenyl)-1H-indazol-3-yl]acetamide
CID 69069808
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
CID 22319587
2-cyclopentyl-N-[6-(4-fluorophenyl)-1H-indazol-3-yl]acetamide
CID 69060428
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-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate?
The IUPAC name of [2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate (CID 69064232) is [2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate is CC(=O)OCC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12.
What is the InChIKey of [2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate?
The InChIKey is OLSZNYCUUDHTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3/c1-9(23)25-8-16(24)20-17-12-4-2-10(6-15(12)21-22-17)13-7-11(18)3-5-14(13)19/h2-7H,8H2,1H3,(H2,20,21,22,24).
What are the key properties of [2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate?
[2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate has a molecular weight of 345.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate is sourced from PubChem (CID 69064232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).