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

C25H19FN4OS — CID 11690784

IUPAC7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2nn3c(-c4ccc(F)cc4)cccc3c2-c2ccnc(SC)n2)cc1
InChIInChI=1S/C25H19FN4OS/c1-31-19-12-8-17(9-13-19)24-23(20-14-15-27-25(28-20)32-2)22-5-3-4-21(30(22)29-24)16-6-10-18(26)11-7-16/h3-15H,1-2H3
InChIKeyTWKUWOIATINMBT-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.99
Rot. Bonds5

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

7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 11690784) has the molecular formula C25H19FN4OS and a molecular weight of 442.52 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
PubChem CID11690784
Molecular FormulaC25H19FN4OS
Molecular Weight442.52 g/mol
Exact Mass442.13
IUPAC Name7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2nn3c(-c4ccc(F)cc4)cccc3c2-c2ccnc(SC)n2)cc1
InChIInChI=1S/C25H19FN4OS/c1-31-19-12-8-17(9-13-19)24-23(20-14-15-27-25(28-20)32-2)22-5-3-4-21(30(22)29-24)16-6-10-18(26)11-7-16/h3-15H,1-2H3
InChIKeyTWKUWOIATINMBT-UHFFFAOYSA-N
XLogP5.99
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine (CID 11690784) is 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine is COc1ccc(-c2nn3c(-c4ccc(F)cc4)cccc3c2-c2ccnc(SC)n2)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is TWKUWOIATINMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4OS/c1-31-19-12-8-17(9-13-19)24-23(20-14-15-27-25(28-20)32-2)22-5-3-4-21(30(22)29-24)16-6-10-18(26)11-7-16/h3-15H,1-2H3.
What are the key properties of 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 442.52 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 11690784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).