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

C18H13FN4OS — CID 69425147

IUPAC2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine
SMILESCS(=O)c1ccnc(-c2c(-c3ccc(F)cc3)nn3ccccc23)n1
InChIInChI=1S/C18H13FN4OS/c1-25(24)15-9-10-20-18(21-15)16-14-4-2-3-11-23(14)22-17(16)12-5-7-13(19)8-6-12/h2-11H,1H3
InChIKeyWUMUIKHVXHUMTI-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.33
Rot. Bonds3

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

2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine (PubChem CID 69425147) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine
PubChem CID69425147
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC Name2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine
SMILESCS(=O)c1ccnc(-c2c(-c3ccc(F)cc3)nn3ccccc23)n1
InChIInChI=1S/C18H13FN4OS/c1-25(24)15-9-10-20-18(21-15)16-14-4-2-3-11-23(14)22-17(16)12-5-7-13(19)8-6-12/h2-11H,1H3
InChIKeyWUMUIKHVXHUMTI-UHFFFAOYSA-N
XLogP3.33
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine (CID 69425147) is 2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine is CS(=O)c1ccnc(-c2c(-c3ccc(F)cc3)nn3ccccc23)n1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is WUMUIKHVXHUMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c1-25(24)15-9-10-20-18(21-15)16-14-4-2-3-11-23(14)22-17(16)12-5-7-13(19)8-6-12/h2-11H,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine?
2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 352.39 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-methylsulfinylpyrimidin-2-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 69425147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).