[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate

C20H12F2N2O2 — CID 13386127

IUPAC[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate
SMILESO=C(Oc1c(-c2ccc(F)cc2)nn2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C20H12F2N2O2/c21-15-8-4-13(5-9-15)18-19(17-3-1-2-12-24(17)23-18)26-20(25)14-6-10-16(22)11-7-14/h1-12H
InChIKeyITLNPJJFOUHNTQ-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.50
Rot. Bonds3

About [2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate

[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate (PubChem CID 13386127) has the molecular formula C20H12F2N2O2 and a molecular weight of 350.32 g/mol. Its IUPAC name is [2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate
PubChem CID13386127
Molecular FormulaC20H12F2N2O2
Molecular Weight350.32 g/mol
Exact Mass350.09
IUPAC Name[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate
SMILESO=C(Oc1c(-c2ccc(F)cc2)nn2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C20H12F2N2O2/c21-15-8-4-13(5-9-15)18-19(17-3-1-2-12-24(17)23-18)26-20(25)14-6-10-16(22)11-7-14/h1-12H
InChIKeyITLNPJJFOUHNTQ-UHFFFAOYSA-N
XLogP4.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate?
The IUPAC name of [2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate (CID 13386127) is [2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate.
What is the SMILES notation for [2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate?
The canonical SMILES for [2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate is O=C(Oc1c(-c2ccc(F)cc2)nn2ccccc12)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate?
The InChIKey is ITLNPJJFOUHNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O2/c21-15-8-4-13(5-9-15)18-19(17-3-1-2-12-24(17)23-18)26-20(25)14-6-10-16(22)11-7-14/h1-12H.
What are the key properties of [2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate?
[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate has a molecular weight of 350.32 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl] 4-fluorobenzoate is sourced from PubChem (CID 13386127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).