methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate

C12H11F3N2O3 — CID 118661482

IUPACmethyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(OCCC(F)(F)F)ccc12
InChIInChI=1S/C12H11F3N2O3/c1-19-11(18)9-6-16-17-7-8(2-3-10(9)17)20-5-4-12(13,14)15/h2-3,6-7H,4-5H2,1H3
InChIKeyZOCYVAINPPLFTB-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.45
Rot. Bonds4

About methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate

methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 118661482) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID118661482
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC Namemethyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(OCCC(F)(F)F)ccc12
InChIInChI=1S/C12H11F3N2O3/c1-19-11(18)9-6-16-17-7-8(2-3-10(9)17)20-5-4-12(13,14)15/h2-3,6-7H,4-5H2,1H3
InChIKeyZOCYVAINPPLFTB-UHFFFAOYSA-N
XLogP2.45
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25072941
Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25071385
6-[(6-Methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151149
N-[2-(4-tert-butyl-3,5-difluorophenoxy)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 56949431
N-ethyl-N-(2-hydroxyethyl)-3-methoxy-7-[3-(trifluoromethyl)phenyl]pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 71462280
Methyl 5-methoxypyrazolo[1,5-a]pyridine-3-carboxylate
CID 13478392
N-(5-fluoro-2-methoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 117636268
US9926282, Example 175
CID 145995272
5-Methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 13478393
7-Methoxypyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 67813270
Ethyl 4,6-difluoropyrazolo(1,5-a)pyridine-3-carboxylate
CID 71741655

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 118661482) is methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2cc(OCCC(F)(F)F)ccc12.
What is the InChIKey of methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is ZOCYVAINPPLFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c1-19-11(18)9-6-16-17-7-8(2-3-10(9)17)20-5-4-12(13,14)15/h2-3,6-7H,4-5H2,1H3.
What are the key properties of methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 288.23 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 118661482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).