6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione

C17H14FN3O4S — CID 113082722

IUPAC6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1C1CCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H14FN3O4S/c18-11-3-5-13(6-4-11)26(24,25)20-9-7-12(10-20)21-16(22)14-2-1-8-19-15(14)17(21)23/h1-6,8,12H,7,9-10H2
InChIKeyZJEDFJVFQDLAFD-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.28
Rot. Bonds3

About 6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione

6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 113082722) has the molecular formula C17H14FN3O4S and a molecular weight of 375.38 g/mol. Its IUPAC name is 6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID113082722
Molecular FormulaC17H14FN3O4S
Molecular Weight375.38 g/mol
Exact Mass375.07
IUPAC Name6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1C1CCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H14FN3O4S/c18-11-3-5-13(6-4-11)26(24,25)20-9-7-12(10-20)21-16(22)14-2-1-8-19-15(14)17(21)23/h1-6,8,12H,7,9-10H2
InChIKeyZJEDFJVFQDLAFD-UHFFFAOYSA-N
XLogP1.28
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-(1-methylsulfonylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082631
1-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]piperidine
CID 63169006
6-(1-butylsulfonylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082634
6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082569
3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-2-(furan-3-yl)imidazo[4,5-b]pyridine
CID 87050950
6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082660
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 121157155
6-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082685
3-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160129

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 113082722) is 6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1C1CCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is ZJEDFJVFQDLAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4S/c18-11-3-5-13(6-4-11)26(24,25)20-9-7-12(10-20)21-16(22)14-2-1-8-19-15(14)17(21)23/h1-6,8,12H,7,9-10H2.
What are the key properties of 6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 375.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 113082722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).