6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

C11H8FN3OS — CID 141301432

IUPAC6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESNc1nc(-c2ccsc2)c2c(c1F)CNC2=O
InChIInChI=1S/C11H8FN3OS/c12-8-6-3-14-11(16)7(6)9(15-10(8)13)5-1-2-17-4-5/h1-2,4H,3H2,(H2,13,15)(H,14,16)
InChIKeyTWUXKPPLLHDXRF-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.77
Rot. Bonds1

About 6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 141301432) has the molecular formula C11H8FN3OS and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID141301432
Molecular FormulaC11H8FN3OS
Molecular Weight249.27 g/mol
Exact Mass249.04
IUPAC Name6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESNc1nc(-c2ccsc2)c2c(c1F)CNC2=O
InChIInChI=1S/C11H8FN3OS/c12-8-6-3-14-11(16)7(6)9(15-10(8)13)5-1-2-17-4-5/h1-2,4H,3H2,(H2,13,15)(H,14,16)
InChIKeyTWUXKPPLLHDXRF-UHFFFAOYSA-N
XLogP1.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 141301432) is 6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is Nc1nc(-c2ccsc2)c2c(c1F)CNC2=O.
What is the InChIKey of 6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is TWUXKPPLLHDXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3OS/c12-8-6-3-14-11(16)7(6)9(15-10(8)13)5-1-2-17-4-5/h1-2,4H,3H2,(H2,13,15)(H,14,16).
What are the key properties of 6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 249.27 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-fluoro-4-thiophen-3-yl-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 141301432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).