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

C13H13F3N2O3 — CID 68554188

IUPAC[4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol
SMILESOCc1ccc(C2OCCCO2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)11-6-10-9(12-20-4-1-5-21-12)3-2-8(7-19)18(10)17-11/h2-3,6,12,19H,1,4-5,7H2
InChIKeyUCVSRVOWPOQJDR-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.28
Rot. Bonds2

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

[4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol (PubChem CID 68554188) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol
PubChem CID68554188
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name[4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol
SMILESOCc1ccc(C2OCCCO2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)11-6-10-9(12-20-4-1-5-21-12)3-2-8(7-19)18(10)17-11/h2-3,6,12,19H,1,4-5,7H2
InChIKeyUCVSRVOWPOQJDR-UHFFFAOYSA-N
XLogP2.28
TPSA55.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]methanol?
The IUPAC name of [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol (CID 68554188) is [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol.
What is the SMILES notation for [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol?
The canonical SMILES for [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol is 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]methanol?
The InChIKey is UCVSRVOWPOQJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c14-13(15,16)11-6-10-9(12-20-4-1-5-21-12)3-2-8(7-19)18(10)17-11/h2-3,6,12,19H,1,4-5,7H2.
What are the key properties of [4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol?
[4-(1,3-dioxan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol has a molecular weight of 302.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 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]methanol is sourced from PubChem (CID 68554188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).