5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline

C26H20N6 — CID 155550628

IUPAC5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCc1c(C(C)n2cnc3ncc(-c4cnc5ccccc5c4)nc32)ccc2ncccc12
InChIInChI=1S/C26H20N6/c1-16-20(9-10-23-21(16)7-5-11-27-23)17(2)32-15-30-25-26(32)31-24(14-29-25)19-12-18-6-3-4-8-22(18)28-13-19/h3-15,17H,1-2H3
InChIKeyJEEMABKPXFIZPQ-UHFFFAOYSA-N
MW416.49 g/mol
LogP5.51
Rot. Bonds3

About 5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline

5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (PubChem CID 155550628) has the molecular formula C26H20N6 and a molecular weight of 416.49 g/mol. Its IUPAC name is 5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
PubChem CID155550628
Molecular FormulaC26H20N6
Molecular Weight416.49 g/mol
Exact Mass416.17
IUPAC Name5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCc1c(C(C)n2cnc3ncc(-c4cnc5ccccc5c4)nc32)ccc2ncccc12
InChIInChI=1S/C26H20N6/c1-16-20(9-10-23-21(16)7-5-11-27-23)17(2)32-15-30-25-26(32)31-24(14-29-25)19-12-18-6-3-4-8-22(18)28-13-19/h3-15,17H,1-2H3
InChIKeyJEEMABKPXFIZPQ-UHFFFAOYSA-N
XLogP5.51
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline 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 5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The IUPAC name of 5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (CID 155550628) is 5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.
What is the SMILES notation for 5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The canonical SMILES for 5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is Cc1c(C(C)n2cnc3ncc(-c4cnc5ccccc5c4)nc32)ccc2ncccc12.
What is the InChIKey of 5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The InChIKey is JEEMABKPXFIZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6/c1-16-20(9-10-23-21(16)7-5-11-27-23)17(2)32-15-30-25-26(32)31-24(14-29-25)19-12-18-6-3-4-8-22(18)28-13-19/h3-15,17H,1-2H3.
What are the key properties of 5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline has a molecular weight of 416.49 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 155550628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).