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

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

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Related Compounds

US20230295171, Example 105
CID 53251340
2-Amino-N-(3-amino-3-oxopropyl)-5-(thiophen-3-yl)nicotinamide
CID 46230182
US20230295171, Example 52
CID 53250216
6-((3R,4R)-3-Aminotetrahydro-2H-pyran-4-ylamino)-7-fluoro-4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53251009
6-((3R,4R)-3-Aminotetrahydro-2H-pyran-4-ylamino)-7-fluoro-4-(thiophen-2-yl)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53251013
6-((1R,2S)-2-Aminocyclohexylamino)-7-fluoro-4-(thiophen-2-yl)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53251175
US20230295171, Example 106
CID 53251339
US20230295171, Example 108
CID 53251342
US20230295171, Example 104
CID 58317515
US20230295171, Example 103
CID 58317576
US20230295171, Example 109
CID 58317613
US20230295171, Example 111
CID 58317624

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).