6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine

C17H16Br2N2 — CID 19994618

IUPAC6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine
SMILESCCc1ccccc1CCc1nccn2c(Br)cc(Br)c12
InChIInChI=1S/C17H16Br2N2/c1-2-12-5-3-4-6-13(12)7-8-15-17-14(18)11-16(19)21(17)10-9-20-15/h3-6,9-11H,2,7-8H2,1H3
InChIKeyLYOIPLQTNBOMOW-UHFFFAOYSA-N
MW408.14 g/mol
LogP5.21
Rot. Bonds4

About 6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine

6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine (PubChem CID 19994618) has the molecular formula C17H16Br2N2 and a molecular weight of 408.14 g/mol. Its IUPAC name is 6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine
PubChem CID19994618
Molecular FormulaC17H16Br2N2
Molecular Weight408.14 g/mol
Exact Mass405.97
IUPAC Name6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine
SMILESCCc1ccccc1CCc1nccn2c(Br)cc(Br)c12
InChIInChI=1S/C17H16Br2N2/c1-2-12-5-3-4-6-13(12)7-8-15-17-14(18)11-16(19)21(17)10-9-20-15/h3-6,9-11H,2,7-8H2,1H3
InChIKeyLYOIPLQTNBOMOW-UHFFFAOYSA-N
XLogP5.21
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.14
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine?
The IUPAC name of 6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine (CID 19994618) is 6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine is CCc1ccccc1CCc1nccn2c(Br)cc(Br)c12.
What is the InChIKey of 6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine?
The InChIKey is LYOIPLQTNBOMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2N2/c1-2-12-5-3-4-6-13(12)7-8-15-17-14(18)11-16(19)21(17)10-9-20-15/h3-6,9-11H,2,7-8H2,1H3.
What are the key properties of 6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine?
6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine has a molecular weight of 408.14 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 19994618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).