7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine

C19H14ClN3 — CID 6538795

IUPAC7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESClc1ccc(-c2[nH]c3nccnc3c2Cc2ccccc2)cc1
InChIInChI=1S/C19H14ClN3/c20-15-8-6-14(7-9-15)17-16(12-13-4-2-1-3-5-13)18-19(23-17)22-11-10-21-18/h1-11H,12H2,(H,22,23)
InChIKeyRIFUFLYTGPSIHT-UHFFFAOYSA-N
MW319.80 g/mol
LogP4.87
Rot. Bonds3

About 7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine

7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 6538795) has the molecular formula C19H14ClN3 and a molecular weight of 319.80 g/mol. Its IUPAC name is 7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID6538795
Molecular FormulaC19H14ClN3
Molecular Weight319.80 g/mol
Exact Mass319.09
IUPAC Name7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESClc1ccc(-c2[nH]c3nccnc3c2Cc2ccccc2)cc1
InChIInChI=1S/C19H14ClN3/c20-15-8-6-14(7-9-15)17-16(12-13-4-2-1-3-5-13)18-19(23-17)22-11-10-21-18/h1-11H,12H2,(H,22,23)
InChIKeyRIFUFLYTGPSIHT-UHFFFAOYSA-N
XLogP4.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]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 7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 6538795) is 7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine is Clc1ccc(-c2[nH]c3nccnc3c2Cc2ccccc2)cc1.
What is the InChIKey of 7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is RIFUFLYTGPSIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3/c20-15-8-6-14(7-9-15)17-16(12-13-4-2-1-3-5-13)18-19(23-17)22-11-10-21-18/h1-11H,12H2,(H,22,23).
What are the key properties of 7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine?
7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 319.80 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 6538795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).