2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide

C16H16N4O2 — CID 10040215

IUPAC2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ncc3cccc(N)c32)cc1
InChIInChI=1S/C16H16N4O2/c1-22-13-7-5-12(6-8-13)19-15(21)10-20-16-11(9-18-20)3-2-4-14(16)17/h2-9H,10,17H2,1H3,(H,19,21)
InChIKeyOCAUQBNWUKUPJC-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.27
Rot. Bonds4

About 2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide

2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 10040215) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID10040215
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ncc3cccc(N)c32)cc1
InChIInChI=1S/C16H16N4O2/c1-22-13-7-5-12(6-8-13)19-15(21)10-20-16-11(9-18-20)3-2-4-14(16)17/h2-9H,10,17H2,1H3,(H,19,21)
InChIKeyOCAUQBNWUKUPJC-UHFFFAOYSA-N
XLogP2.27
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide (CID 10040215) is 2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2ncc3cccc(N)c32)cc1.
What is the InChIKey of 2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is OCAUQBNWUKUPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-22-13-7-5-12(6-8-13)19-15(21)10-20-16-11(9-18-20)3-2-4-14(16)17/h2-9H,10,17H2,1H3,(H,19,21).
What are the key properties of 2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide?
2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-aminoindazol-1-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 10040215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).