1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone

C13H10F6N2O3 — CID 118674834

IUPAC1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnn2cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc12
InChIInChI=1S/C13H10F6N2O3/c1-7(22)9-4-20-21-5-8(2-3-10(9)21)24-6-11(23,12(14,15)16)13(17,18)19/h2-5,23H,6H2,1H3
InChIKeyLWXGJKWFPBSCRU-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.77
Rot. Bonds4

About 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone

1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone (PubChem CID 118674834) has the molecular formula C13H10F6N2O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone
PubChem CID118674834
Molecular FormulaC13H10F6N2O3
Molecular Weight356.22 g/mol
Exact Mass356.06
IUPAC Name1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone
SMILESCC(=O)c1cnn2cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc12
InChIInChI=1S/C13H10F6N2O3/c1-7(22)9-4-20-21-5-8(2-3-10(9)21)24-6-11(23,12(14,15)16)13(17,18)19/h2-5,23H,6H2,1H3
InChIKeyLWXGJKWFPBSCRU-UHFFFAOYSA-N
XLogP2.77
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
CID 134286734
1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone
CID 118674259
1-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 118565994
methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 118661482
6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 118661460
N-[(2S)-1-[3-[4-carbamoyl-1-(difluoromethyl)pyrazol-3-yl]oxycyclobutyl]propan-2-yl]-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 156545060
2-cyclopropyl-4-[4-[[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexyl]oxy-1,3-thiazole-5-carboxamide
CID 166696273
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
6-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680674
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-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The IUPAC name of 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone (CID 118674834) is 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone is CC(=O)c1cnn2cc(OCC(O)(C(F)(F)F)C(F)(F)F)ccc12.
What is the InChIKey of 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
The InChIKey is LWXGJKWFPBSCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F6N2O3/c1-7(22)9-4-20-21-5-8(2-3-10(9)21)24-6-11(23,12(14,15)16)13(17,18)19/h2-5,23H,6H2,1H3.
What are the key properties of 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone?
1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone has a molecular weight of 356.22 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 118674834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).