7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

C11H8BrN3OS — CID 115285765

IUPAC7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESO=C1Nc2cc(Br)cnc2NC1c1cccs1
InChIInChI=1S/C11H8BrN3OS/c12-6-4-7-10(13-5-6)15-9(11(16)14-7)8-2-1-3-17-8/h1-5,9H,(H,13,15)(H,14,16)
InChIKeyVFQGTGSCXHFJPB-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.01
Rot. Bonds1

About 7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 115285765) has the molecular formula C11H8BrN3OS and a molecular weight of 310.18 g/mol. Its IUPAC name is 7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
PubChem CID115285765
Molecular FormulaC11H8BrN3OS
Molecular Weight310.18 g/mol
Exact Mass308.96
IUPAC Name7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESO=C1Nc2cc(Br)cnc2NC1c1cccs1
InChIInChI=1S/C11H8BrN3OS/c12-6-4-7-10(13-5-6)15-9(11(16)14-7)8-2-1-3-17-8/h1-5,9H,(H,13,15)(H,14,16)
InChIKeyVFQGTGSCXHFJPB-UHFFFAOYSA-N
XLogP3.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 115285760
7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 113278973
7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 79302916
2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile
CID 113444626
7-bromo-2-thiophen-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 115285777
1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one
CID 137011069
1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151
7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde
CID 174655146
3-thiophen-2-ylpyrrolidine-2,5-dione
CID 67512850
(7R)-3-(3-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51972237
1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one
CID 136952923
7-bromo-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 79290898

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (CID 115285765) is 7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is O=C1Nc2cc(Br)cnc2NC1c1cccs1.
What is the InChIKey of 7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is VFQGTGSCXHFJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3OS/c12-6-4-7-10(13-5-6)15-9(11(16)14-7)8-2-1-3-17-8/h1-5,9H,(H,13,15)(H,14,16).
What are the key properties of 7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 310.18 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 115285765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).