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

C36H21FN8 — CID 23391335

IUPAC8-[2-[3-fluoro-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
SMILESFc1cc(-c2nc3cccnc3n2-c2cccc3cccnc23)cc(-c2nc3cccnc3n2-c2cccc3cccnc23)c1
InChIInChI=1S/C36H21FN8/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
InChIKeySDPQZNKCDQQDSR-UHFFFAOYSA-N
MW584.62 g/mol
LogP7.72
Rot. Bonds4

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

8-[2-[3-fluoro-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline (PubChem CID 23391335) has the molecular formula C36H21FN8 and a molecular weight of 584.62 g/mol. Its IUPAC name is 8-[2-[3-fluoro-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-fluoro-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
PubChem CID23391335
Molecular FormulaC36H21FN8
Molecular Weight584.62 g/mol
Exact Mass584.19
IUPAC Name8-[2-[3-fluoro-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
SMILESFc1cc(-c2nc3cccnc3n2-c2cccc3cccnc23)cc(-c2nc3cccnc3n2-c2cccc3cccnc23)c1
InChIInChI=1S/C36H21FN8/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
InChIKeySDPQZNKCDQQDSR-UHFFFAOYSA-N
XLogP7.72
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.62
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-fluoro-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-fluoro-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline (CID 23391335) is 8-[2-[3-fluoro-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-fluoro-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-fluoro-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline is Fc1cc(-c2nc3cccnc3n2-c2cccc3cccnc23)cc(-c2nc3cccnc3n2-c2cccc3cccnc23)c1.
What is the InChIKey of 8-[2-[3-fluoro-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline?
The InChIKey is SDPQZNKCDQQDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21FN8/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-fluoro-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline?
8-[2-[3-fluoro-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 584.62 g/mol, XLogP of 7.72, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-fluoro-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 23391335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).