methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate

C11H11N3O3 — CID 118323423

IUPACmethyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate
SMILESCOC(=O)Cn1nc(C(C)=O)c2ccncc21
InChIInChI=1S/C11H11N3O3/c1-7(15)11-8-3-4-12-5-9(8)14(13-11)6-10(16)17-2/h3-5H,6H2,1-2H3
InChIKeyRRDLNUJQULUHKR-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.81
Rot. Bonds3

About methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate

methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate (PubChem CID 118323423) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate
PubChem CID118323423
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Namemethyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate
SMILESCOC(=O)Cn1nc(C(C)=O)c2ccncc21
InChIInChI=1S/C11H11N3O3/c1-7(15)11-8-3-4-12-5-9(8)14(13-11)6-10(16)17-2/h3-5H,6H2,1-2H3
InChIKeyRRDLNUJQULUHKR-UHFFFAOYSA-N
XLogP0.81
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate?
The IUPAC name of methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate (CID 118323423) is methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate is COC(=O)Cn1nc(C(C)=O)c2ccncc21.
What is the InChIKey of methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate?
The InChIKey is RRDLNUJQULUHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-7(15)11-8-3-4-12-5-9(8)14(13-11)6-10(16)17-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate?
methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate has a molecular weight of 233.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate is sourced from PubChem (CID 118323423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).