8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline

C36H21BrN8 — CID 23391333

IUPAC8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
SMILESBrc1cc(-c2nc3cccnc3n2-c2cccc3cccnc23)cc(-c2nc3cccnc3n2-c2cccc3cccnc23)c1
InChIInChI=1S/C36H21BrN8/c37-26-20-24(33-42-27-11-5-17-40-35(27)44(33)29-13-1-7-22-9-3-15-38-31(22)29)19-25(21-26)34-43-28-12-6-18-41-36(28)45(34)30-14-2-8-23-10-4-16-39-32(23)30/h1-21H
InChIKeyODSLTMYALOIISA-UHFFFAOYSA-N
MW645.52 g/mol
LogP8.35
Rot. Bonds4

About 8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline

8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline (PubChem CID 23391333) has the molecular formula C36H21BrN8 and a molecular weight of 645.52 g/mol. Its IUPAC name is 8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
PubChem CID23391333
Molecular FormulaC36H21BrN8
Molecular Weight645.52 g/mol
Exact Mass644.11
IUPAC Name8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
SMILESBrc1cc(-c2nc3cccnc3n2-c2cccc3cccnc23)cc(-c2nc3cccnc3n2-c2cccc3cccnc23)c1
InChIInChI=1S/C36H21BrN8/c37-26-20-24(33-42-27-11-5-17-40-35(27)44(33)29-13-1-7-22-9-3-15-38-31(22)29)19-25(21-26)34-43-28-12-6-18-41-36(28)45(34)30-14-2-8-23-10-4-16-39-32(23)30/h1-21H
InChIKeyODSLTMYALOIISA-UHFFFAOYSA-N
XLogP8.35
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.52
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline with MolForge

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Related Compounds

2-Methyl-4-[7-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]quinoline
CID 139326708
4-[7-[6-(4-Cyclopropylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]-2-methylquinoline
CID 139326714
5-Methyl-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 141370343
10-(4-Bromophenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthroline
CID 4238635
10-(4-Bromophenyl)-9-(4-methylphenyl)-7,8-dihydroimidazo[1,2-a][1,10]phenanthrolin-12-ium bromide
CID 9551998
3-[2-[4-(5-Bromo-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10478334
2-(4-Bromophenyl)-1,3-dipyridin-2-ylbenzimidazol-3-ium iodide
CID 16196369
6-[(5-Phenylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline
CID 86566651
6-[(5-Pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)methyl]quinoline
CID 86566652
N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline
CID 86566677
5-Methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 155550628
6-[6-(1-Methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]quinoline
CID 117769454

Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline?
The IUPAC name of 8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline (CID 23391333) is 8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline.
What is the SMILES notation for 8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline?
The canonical SMILES for 8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline is Brc1cc(-c2nc3cccnc3n2-c2cccc3cccnc23)cc(-c2nc3cccnc3n2-c2cccc3cccnc23)c1.
What is the InChIKey of 8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline?
The InChIKey is ODSLTMYALOIISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21BrN8/c37-26-20-24(33-42-27-11-5-17-40-35(27)44(33)29-13-1-7-22-9-3-15-38-31(22)29)19-25(21-26)34-43-28-12-6-18-41-36(28)45(34)30-14-2-8-23-10-4-16-39-32(23)30/h1-21H.
What are the key properties of 8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline?
8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline has a molecular weight of 645.52 g/mol, XLogP of 8.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline is sourced from PubChem (CID 23391333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).