1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone

C12H14N2O3 — CID 91422940

IUPAC1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone
SMILESCOCOCc1cc2c(C(C)=O)cccn2n1
InChIInChI=1S/C12H14N2O3/c1-9(15)11-4-3-5-14-12(11)6-10(13-14)7-17-8-16-2/h3-6H,7-8H2,1-2H3
InChIKeyKFDFXSJDBPMLLU-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.66
Rot. Bonds5

About 1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone

1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone (PubChem CID 91422940) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone
PubChem CID91422940
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone
SMILESCOCOCc1cc2c(C(C)=O)cccn2n1
InChIInChI=1S/C12H14N2O3/c1-9(15)11-4-3-5-14-12(11)6-10(13-14)7-17-8-16-2/h3-6H,7-8H2,1-2H3
InChIKeyKFDFXSJDBPMLLU-UHFFFAOYSA-N
XLogP1.66
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone?
The IUPAC name of 1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone (CID 91422940) is 1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone.
What is the SMILES notation for 1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone?
The canonical SMILES for 1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone is COCOCc1cc2c(C(C)=O)cccn2n1.
What is the InChIKey of 1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone?
The InChIKey is KFDFXSJDBPMLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-9(15)11-4-3-5-14-12(11)6-10(13-14)7-17-8-16-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone?
1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone has a molecular weight of 234.25 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethoxymethyl)pyrazolo[1,5-a]pyridin-4-yl]ethanone is sourced from PubChem (CID 91422940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).