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

C24H21N3O3 — CID 69059540

IUPAC[2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1n[nH]c2cc(-c3ccccc3C)ccc12)c1ccccc1
InChIInChI=1S/C24H21N3O3/c1-15-8-6-7-11-19(15)18-12-13-20-21(14-18)26-27-23(20)25-24(29)22(30-16(2)28)17-9-4-3-5-10-17/h3-14,22H,1-2H3,(H2,25,26,27,29)
InChIKeyPQIMFUWDZJFNDP-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.78
Rot. Bonds5

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

[2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate (PubChem CID 69059540) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is [2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
PubChem CID69059540
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name[2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1n[nH]c2cc(-c3ccccc3C)ccc12)c1ccccc1
InChIInChI=1S/C24H21N3O3/c1-15-8-6-7-11-19(15)18-12-13-20-21(14-18)26-27-23(20)25-24(29)22(30-16(2)28)17-9-4-3-5-10-17/h3-14,22H,1-2H3,(H2,25,26,27,29)
InChIKeyPQIMFUWDZJFNDP-UHFFFAOYSA-N
XLogP4.78
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

[2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69059417
[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-oxo-1-phenylethyl] acetate
CID 69070303
3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide
CID 69060060
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
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-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69070154
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69061525
2,3,4,5-tetrafluoro-N-[6-(2-methylsulfanylphenyl)-1H-indazol-3-yl]benzamide
CID 87678026
N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
CID 69060718
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-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate (CID 69059540) is [2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate is CC(=O)OC(C(=O)Nc1n[nH]c2cc(-c3ccccc3C)ccc12)c1ccccc1.
What is the InChIKey of [2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
The InChIKey is PQIMFUWDZJFNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-15-8-6-7-11-19(15)18-12-13-20-21(14-18)26-27-23(20)25-24(29)22(30-16(2)28)17-9-4-3-5-10-17/h3-14,22H,1-2H3,(H2,25,26,27,29).
What are the key properties of [2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
[2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate has a molecular weight of 399.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(2-methylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 69059540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).