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

C25H23N3O4 — CID 69069627

IUPAC[2-[[6-(2-ethoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCCOc1ccccc1-c1ccc2c(NC(=O)C(OC(C)=O)c3ccccc3)n[nH]c2c1
InChIInChI=1S/C25H23N3O4/c1-3-31-22-12-8-7-11-19(22)18-13-14-20-21(15-18)27-28-24(20)26-25(30)23(32-16(2)29)17-9-5-4-6-10-17/h4-15,23H,3H2,1-2H3,(H2,26,27,28,30)
InChIKeyHGSWCIJTKASNCB-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.87
Rot. Bonds7

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

[2-[[6-(2-ethoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate (PubChem CID 69069627) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is [2-[[6-(2-ethoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[[6-(2-ethoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
PubChem CID69069627
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name[2-[[6-(2-ethoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCCOc1ccccc1-c1ccc2c(NC(=O)C(OC(C)=O)c3ccccc3)n[nH]c2c1
InChIInChI=1S/C25H23N3O4/c1-3-31-22-12-8-7-11-19(22)18-13-14-20-21(15-18)27-28-24(20)26-25(30)23(32-16(2)29)17-9-5-4-6-10-17/h4-15,23H,3H2,1-2H3,(H2,26,27,28,30)
InChIKeyHGSWCIJTKASNCB-UHFFFAOYSA-N
XLogP4.87
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69059540
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69070303
[2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69059417
N-[6-(2-ethoxyphenyl)-1H-indazol-3-yl]cyclopentanecarboxamide
CID 69065075
2-(4-chlorophenoxy)-N-[6-(2-ethoxyphenyl)-1H-indazol-3-yl]acetamide
CID 69069808
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69061205
4-[[6-(4-acetylphenyl)-1H-indazol-3-yl]amino]-4-oxo-3-phenylbutanoic acid
CID 91296701
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
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69069713
[2-[[6-(2,5-difluorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69064232

Frequently Asked Questions

What is the IUPAC name of [2-[[6-(2-ethoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-[[6-(2-ethoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate (CID 69069627) is [2-[[6-(2-ethoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-[[6-(2-ethoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-[[6-(2-ethoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate is CCOc1ccccc1-c1ccc2c(NC(=O)C(OC(C)=O)c3ccccc3)n[nH]c2c1.
What is the InChIKey of [2-[[6-(2-ethoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
The InChIKey is HGSWCIJTKASNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-3-31-22-12-8-7-11-19(22)18-13-14-20-21(15-18)27-28-24(20)26-25(30)23(32-16(2)29)17-9-5-4-6-10-17/h4-15,23H,3H2,1-2H3,(H2,26,27,28,30).
What are the key properties of [2-[[6-(2-ethoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
[2-[[6-(2-ethoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate has a molecular weight of 429.48 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(2-ethoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 69069627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).