8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline

C21H13BrN4 — CID 68603193

IUPAC8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline
SMILESBrc1cccc2ccc(-c3cnc4cc(-c5cccnc5)ccn34)nc12
InChIInChI=1S/C21H13BrN4/c22-17-5-1-3-14-6-7-18(25-21(14)17)19-13-24-20-11-15(8-10-26(19)20)16-4-2-9-23-12-16/h1-13H
InChIKeyICPGCZYRDWYJST-UHFFFAOYSA-N
MW401.27 g/mol
LogP5.37
Rot. Bonds2

About 8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline

8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline (PubChem CID 68603193) has the molecular formula C21H13BrN4 and a molecular weight of 401.27 g/mol. Its IUPAC name is 8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline.

Molecular Properties

Compound Name8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline
PubChem CID68603193
Molecular FormulaC21H13BrN4
Molecular Weight401.27 g/mol
Exact Mass400.03
IUPAC Name8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline
SMILESBrc1cccc2ccc(-c3cnc4cc(-c5cccnc5)ccn34)nc12
InChIInChI=1S/C21H13BrN4/c22-17-5-1-3-14-6-7-18(25-21(14)17)19-13-24-20-11-15(8-10-26(19)20)16-4-2-9-23-12-16/h1-13H
InChIKeyICPGCZYRDWYJST-UHFFFAOYSA-N
XLogP5.37
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.27
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline?
The IUPAC name of 8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline (CID 68603193) is 8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline.
What is the SMILES notation for 8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline?
The canonical SMILES for 8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline is Brc1cccc2ccc(-c3cnc4cc(-c5cccnc5)ccn34)nc12.
What is the InChIKey of 8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline?
The InChIKey is ICPGCZYRDWYJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrN4/c22-17-5-1-3-14-6-7-18(25-21(14)17)19-13-24-20-11-15(8-10-26(19)20)16-4-2-9-23-12-16/h1-13H.
What are the key properties of 8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline?
8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline has a molecular weight of 401.27 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinoline is sourced from PubChem (CID 68603193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).