4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine

C19H17FN4O3S — CID 118675941

IUPAC4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(Oc2ncncc2-c2ccncc2)C1
InChIInChI=1S/C19H17FN4O3S/c20-15-1-3-17(4-2-15)28(25,26)24-10-7-16(12-24)27-19-18(11-22-13-23-19)14-5-8-21-9-6-14/h1-6,8-9,11,13,16H,7,10,12H2
InChIKeyFWXQYFAZPSCYSD-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.52
Rot. Bonds5

About 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine

4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine (PubChem CID 118675941) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine
PubChem CID118675941
Molecular FormulaC19H17FN4O3S
Molecular Weight400.44 g/mol
Exact Mass400.10
IUPAC Name4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(Oc2ncncc2-c2ccncc2)C1
InChIInChI=1S/C19H17FN4O3S/c20-15-1-3-17(4-2-15)28(25,26)24-10-7-16(12-24)27-19-18(11-22-13-23-19)14-5-8-21-9-6-14/h1-6,8-9,11,13,16H,7,10,12H2
InChIKeyFWXQYFAZPSCYSD-UHFFFAOYSA-N
XLogP2.52
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine?
The IUPAC name of 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine (CID 118675941) is 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine is O=S(=O)(c1ccc(F)cc1)N1CCC(Oc2ncncc2-c2ccncc2)C1.
What is the InChIKey of 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine?
The InChIKey is FWXQYFAZPSCYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S/c20-15-1-3-17(4-2-15)28(25,26)24-10-7-16(12-24)27-19-18(11-22-13-23-19)14-5-8-21-9-6-14/h1-6,8-9,11,13,16H,7,10,12H2.
What are the key properties of 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine?
4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine has a molecular weight of 400.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-5-pyridin-4-ylpyrimidine is sourced from PubChem (CID 118675941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).