3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

C19H15FN4O2S2 — CID 123504035

IUPAC3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2c(C)cc(-c3ccncc3)nc2c1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H15FN4O2S2/c1-12-10-16(13-6-8-21-9-7-13)22-18-17(19(27-2)23-24(12)18)28(25,26)15-5-3-4-14(20)11-15/h3-11H,1-2H3
InChIKeyKZBIMZHSAUFVFP-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.79
Rot. Bonds4

About 3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine

3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 123504035) has the molecular formula C19H15FN4O2S2 and a molecular weight of 414.49 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
PubChem CID123504035
Molecular FormulaC19H15FN4O2S2
Molecular Weight414.49 g/mol
Exact Mass414.06
IUPAC Name3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2c(C)cc(-c3ccncc3)nc2c1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C19H15FN4O2S2/c1-12-10-16(13-6-8-21-9-7-13)22-18-17(19(27-2)23-24(12)18)28(25,26)15-5-3-4-14(20)11-15/h3-11H,1-2H3
InChIKeyKZBIMZHSAUFVFP-UHFFFAOYSA-N
XLogP3.79
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine (CID 123504035) is 3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is CSc1nn2c(C)cc(-c3ccncc3)nc2c1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is KZBIMZHSAUFVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S2/c1-12-10-16(13-6-8-21-9-7-13)22-18-17(19(27-2)23-24(12)18)28(25,26)15-5-3-4-14(20)11-15/h3-11H,1-2H3.
What are the key properties of 3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine?
3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 414.49 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 123504035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).