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

C18H14FN3O3 — CID 113082668

IUPAC6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C(c1cccc(F)c1)N1CCC(N2C(=O)c3cccnc3C2=O)C1
InChIInChI=1S/C18H14FN3O3/c19-12-4-1-3-11(9-12)16(23)21-8-6-13(10-21)22-17(24)14-5-2-7-20-15(14)18(22)25/h1-5,7,9,13H,6,8,10H2
InChIKeyLNCVUJOORAKXDZ-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.73
Rot. Bonds2

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

6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 113082668) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID113082668
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C(c1cccc(F)c1)N1CCC(N2C(=O)c3cccnc3C2=O)C1
InChIInChI=1S/C18H14FN3O3/c19-12-4-1-3-11(9-12)16(23)21-8-6-13(10-21)22-17(24)14-5-2-7-20-15(14)18(22)25/h1-5,7,9,13H,6,8,10H2
InChIKeyLNCVUJOORAKXDZ-UHFFFAOYSA-N
XLogP1.73
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(3-chlorobenzoyl)piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082608
6-(1-acetylpiperidin-4-yl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082569
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-phenylpyrrolidine-1-carboxamide
CID 113082706
6-[1-(2-ethylbutanoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082660
3-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727966
1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
CID 113083054
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
(3-fluorophenyl)-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95333696
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
(3-fluorophenyl)-[3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 87050817
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 113082668) is 6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione is O=C(c1cccc(F)c1)N1CCC(N2C(=O)c3cccnc3C2=O)C1.
What is the InChIKey of 6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is LNCVUJOORAKXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c19-12-4-1-3-11(9-12)16(23)21-8-6-13(10-21)22-17(24)14-5-2-7-20-15(14)18(22)25/h1-5,7,9,13H,6,8,10H2.
What are the key properties of 6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 339.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 113082668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).