[4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate

C15H15F3N2O4 — CID 68548692

IUPAC[4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate
SMILESCC(=O)OCc1ccc(C2OCCCO2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C15H15F3N2O4/c1-9(21)24-8-10-3-4-11(14-22-5-2-6-23-14)12-7-13(15(16,17)18)19-20(10)12/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyXQFZDLLKPXZSIZ-UHFFFAOYSA-N
MW344.29 g/mol
LogP2.85
Rot. Bonds3

About [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate

[4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate (PubChem CID 68548692) has the molecular formula C15H15F3N2O4 and a molecular weight of 344.29 g/mol. Its IUPAC name is [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate.

Molecular Properties

Compound Name[4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate
PubChem CID68548692
Molecular FormulaC15H15F3N2O4
Molecular Weight344.29 g/mol
Exact Mass344.10
IUPAC Name[4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate
SMILESCC(=O)OCc1ccc(C2OCCCO2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C15H15F3N2O4/c1-9(21)24-8-10-3-4-11(14-22-5-2-6-23-14)12-7-13(15(16,17)18)19-20(10)12/h3-4,7,14H,2,5-6,8H2,1H3
InChIKeyXQFZDLLKPXZSIZ-UHFFFAOYSA-N
XLogP2.85
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate?
The IUPAC name of [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate (CID 68548692) is [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate.
What is the SMILES notation for [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate?
The canonical SMILES for [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate is CC(=O)OCc1ccc(C2OCCCO2)c2cc(C(F)(F)F)nn12.
What is the InChIKey of [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate?
The InChIKey is XQFZDLLKPXZSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O4/c1-9(21)24-8-10-3-4-11(14-22-5-2-6-23-14)12-7-13(15(16,17)18)19-20(10)12/h3-4,7,14H,2,5-6,8H2,1H3.
What are the key properties of [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate?
[4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate has a molecular weight of 344.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methyl acetate is sourced from PubChem (CID 68548692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).