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

C20H16F2N4O2S — CID 87904295

IUPAC7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine
SMILESCS(=O)c1ccnc(-c2c(-c3ccc(F)cc3)nn3c(OCCF)cccc23)n1
InChIInChI=1S/C20H16F2N4O2S/c1-29(27)16-9-11-23-20(24-16)18-15-3-2-4-17(28-12-10-21)26(15)25-19(18)13-5-7-14(22)8-6-13/h2-9,11H,10,12H2,1H3
InChIKeyKDIYXPATCZDGLS-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.68
Rot. Bonds6

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

7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine (PubChem CID 87904295) has the molecular formula C20H16F2N4O2S and a molecular weight of 414.44 g/mol. Its IUPAC name is 7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine
PubChem CID87904295
Molecular FormulaC20H16F2N4O2S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine
SMILESCS(=O)c1ccnc(-c2c(-c3ccc(F)cc3)nn3c(OCCF)cccc23)n1
InChIInChI=1S/C20H16F2N4O2S/c1-29(27)16-9-11-23-20(24-16)18-15-3-2-4-17(28-12-10-21)26(15)25-19(18)13-5-7-14(22)8-6-13/h2-9,11H,10,12H2,1H3
InChIKeyKDIYXPATCZDGLS-UHFFFAOYSA-N
XLogP3.68
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine (CID 87904295) is 7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine is CS(=O)c1ccnc(-c2c(-c3ccc(F)cc3)nn3c(OCCF)cccc23)n1.
What is the InChIKey of 7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is KDIYXPATCZDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2S/c1-29(27)16-9-11-23-20(24-16)18-15-3-2-4-17(28-12-10-21)26(15)25-19(18)13-5-7-14(22)8-6-13/h2-9,11H,10,12H2,1H3.
What are the key properties of 7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine?
7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 414.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoroethoxy)-2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 87904295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).