1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone

C13H13F3N2O3 — CID 118674259

IUPAC1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnn2cc(OCCOCC(F)(F)F)ccc12
InChIInChI=1S/C13H13F3N2O3/c1-9(19)11-6-17-18-7-10(2-3-12(11)18)21-5-4-20-8-13(14,15)16/h2-3,6-7H,4-5,8H2,1H3
InChIKeyHXYWCVKTVYZGHY-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.49
Rot. Bonds6

About 1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone

1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone (PubChem CID 118674259) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone
PubChem CID118674259
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnn2cc(OCCOCC(F)(F)F)ccc12
InChIInChI=1S/C13H13F3N2O3/c1-9(19)11-6-17-18-7-10(2-3-12(11)18)21-5-4-20-8-13(14,15)16/h2-3,6-7H,4-5,8H2,1H3
InChIKeyHXYWCVKTVYZGHY-UHFFFAOYSA-N
XLogP2.49
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone
CID 118674834
methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 118661482
1-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 118565994
1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
CID 134286734
2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine
CID 162150186
6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 90299273
6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 130229153
2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid
CID 118661383
methyl 7-cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 130229662
2-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]acetic acid
CID 61492419
6-(1,3-difluoropropan-2-yloxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 138110564
1-[6-[(3,3-difluoro-1-hydroxycyclobutyl)methoxy]pyrazolo[1,5-a]pyridin-3-yl]-2-methylpropan-1-one
CID 137413503

Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The IUPAC name of 1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone (CID 118674259) is 1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone is CC(=O)c1cnn2cc(OCCOCC(F)(F)F)ccc12.
What is the InChIKey of 1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The InChIKey is HXYWCVKTVYZGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c1-9(19)11-6-17-18-7-10(2-3-12(11)18)21-5-4-20-8-13(14,15)16/h2-3,6-7H,4-5,8H2,1H3.
What are the key properties of 1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone has a molecular weight of 302.25 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 118674259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).