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

C25H23N3O3 — CID 69059417

IUPAC[2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1n[nH]c2cc(-c3c(C)cccc3C)ccc12)c1ccccc1
InChIInChI=1S/C25H23N3O3/c1-15-8-7-9-16(2)22(15)19-12-13-20-21(14-19)27-28-24(20)26-25(30)23(31-17(3)29)18-10-5-4-6-11-18/h4-14,23H,1-3H3,(H2,26,27,28,30)
InChIKeyKCSSTKDPWJOSOD-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.09
Rot. Bonds5

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

[2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate (PubChem CID 69059417) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is [2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate.

Molecular Properties

Compound Name[2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
PubChem CID69059417
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name[2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1n[nH]c2cc(-c3c(C)cccc3C)ccc12)c1ccccc1
InChIInChI=1S/C25H23N3O3/c1-15-8-7-9-16(2)22(15)19-12-13-20-21(14-19)27-28-24(20)26-25(30)23(31-17(3)29)18-10-5-4-6-11-18/h4-14,23H,1-3H3,(H2,26,27,28,30)
InChIKeyKCSSTKDPWJOSOD-UHFFFAOYSA-N
XLogP5.09
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[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-oxo-1-phenylethyl] acetate
CID 69070303
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]benzamide
CID 69059504
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69064177
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
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69061525
6-(2,6-dimethylphenyl)-1H-indazol-3-amine
CID 69066632
[2-[[6-(3-chlorophenyl)-1H-indazol-3-yl]amino]-2-oxoethyl] acetate
CID 69060604
3,5-dichloro-N-[6-(2-methylphenyl)-1H-indazol-3-yl]benzamide
CID 69060060
N-[6-(3,4-dimethylphenyl)-1H-indazol-3-yl]-2-methoxybenzamide
CID 69060718

Frequently Asked Questions

What is the IUPAC name of [2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
The IUPAC name of [2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate (CID 69059417) is [2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate.
What is the SMILES notation for [2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
The canonical SMILES for [2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate is CC(=O)OC(C(=O)Nc1n[nH]c2cc(-c3c(C)cccc3C)ccc12)c1ccccc1.
What is the InChIKey of [2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
The InChIKey is KCSSTKDPWJOSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-15-8-7-9-16(2)22(15)19-12-13-20-21(14-19)27-28-24(20)26-25(30)23(31-17(3)29)18-10-5-4-6-11-18/h4-14,23H,1-3H3,(H2,26,27,28,30).
What are the key properties of [2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate?
[2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate has a molecular weight of 413.48 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate is sourced from PubChem (CID 69059417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).