2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine

C20H13F4N3O — CID 21027446

IUPAC2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine
SMILESFc1ccc(-c2nn3c(OCC(F)(F)F)cccc3c2-c2ccncc2)cc1
InChIInChI=1S/C20H13F4N3O/c21-15-6-4-14(5-7-15)19-18(13-8-10-25-11-9-13)16-2-1-3-17(27(16)26-19)28-12-20(22,23)24/h1-11H,12H2
InChIKeyMUJSVAMMIKEZPF-UHFFFAOYSA-N
MW387.34 g/mol
LogP5.14
Rot. Bonds4

About 2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine

2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine (PubChem CID 21027446) has the molecular formula C20H13F4N3O and a molecular weight of 387.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine
PubChem CID21027446
Molecular FormulaC20H13F4N3O
Molecular Weight387.34 g/mol
Exact Mass387.10
IUPAC Name2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine
SMILESFc1ccc(-c2nn3c(OCC(F)(F)F)cccc3c2-c2ccncc2)cc1
InChIInChI=1S/C20H13F4N3O/c21-15-6-4-14(5-7-15)19-18(13-8-10-25-11-9-13)16-2-1-3-17(27(16)26-19)28-12-20(22,23)24/h1-11H,12H2
InChIKeyMUJSVAMMIKEZPF-UHFFFAOYSA-N
XLogP5.14
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.34
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine (CID 21027446) is 2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine is Fc1ccc(-c2nn3c(OCC(F)(F)F)cccc3c2-c2ccncc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine?
The InChIKey is MUJSVAMMIKEZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N3O/c21-15-6-4-14(5-7-15)19-18(13-8-10-25-11-9-13)16-2-1-3-17(27(16)26-19)28-12-20(22,23)24/h1-11H,12H2.
What are the key properties of 2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine?
2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine has a molecular weight of 387.34 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-pyridin-4-yl-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 21027446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).