6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline

C24H15BrN10 — CID 157332457

IUPAC6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline
SMILESBrc1cnc2n[nH]nc2c1.c1cc(-c2ccnc3ccc(-c4cnc5n[nH]nc5c4)cc23)ccn1
InChIInChI=1S/C19H12N6.C5H3BrN4/c1-2-17-16(15(5-8-21-17)12-3-6-20-7-4-12)9-13(1)14-10-18-19(22-11-14)24-25-23-18;6-3-1-4-5(7-2-3)9-10-8-4/h1-11H,(H,22,23,24,25);1-2H,(H,7,8,9,10)
InChIKeyBFLHJRJAYWURNH-UHFFFAOYSA-N
MW523.36 g/mol
LogP4.75
Rot. Bonds2

About 6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline

6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline (PubChem CID 157332457) has the molecular formula C24H15BrN10 and a molecular weight of 523.36 g/mol. Its IUPAC name is 6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline.

Molecular Properties

Compound Name6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline
PubChem CID157332457
Molecular FormulaC24H15BrN10
Molecular Weight523.36 g/mol
Exact Mass522.07
IUPAC Name6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline
SMILESBrc1cnc2n[nH]nc2c1.c1cc(-c2ccnc3ccc(-c4cnc5n[nH]nc5c4)cc23)ccn1
InChIInChI=1S/C19H12N6.C5H3BrN4/c1-2-17-16(15(5-8-21-17)12-3-6-20-7-4-12)9-13(1)14-10-18-19(22-11-14)24-25-23-18;6-3-1-4-5(7-2-3)9-10-8-4/h1-11H,(H,22,23,24,25);1-2H,(H,7,8,9,10)
InChIKeyBFLHJRJAYWURNH-UHFFFAOYSA-N
XLogP4.75
TPSA134.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.36
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
6-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851730
6-[6-(1H-pyrazol-4-yl)-[1,2,3]triazolo[4,5-b]pyrazin-1-ylmethyl]-quinoline
CID 24851953
3-(6-Quinolylmethyl)-6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405871
3-(6-Quinolylmethyl)-6-[(1-methyl)-4-pyrazolyl][1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405875
6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 59341847
4-(4-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)phenyl)-3-(2H-tetrazol-5-yl)quinoline
CID 10344235
7-Fluoro-3-(1-methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137632523
3-(1-Methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137636605
5,7-Difluoro-3-(1-methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137652089
(3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine
CID 24851954
N,N-dimethyl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanamine
CID 45381018

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline?
The IUPAC name of 6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline (CID 157332457) is 6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline.
What is the SMILES notation for 6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline?
The canonical SMILES for 6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline is Brc1cnc2n[nH]nc2c1.c1cc(-c2ccnc3ccc(-c4cnc5n[nH]nc5c4)cc23)ccn1.
What is the InChIKey of 6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline?
The InChIKey is BFLHJRJAYWURNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6.C5H3BrN4/c1-2-17-16(15(5-8-21-17)12-3-6-20-7-4-12)9-13(1)14-10-18-19(22-11-14)24-25-23-18;6-3-1-4-5(7-2-3)9-10-8-4/h1-11H,(H,22,23,24,25);1-2H,(H,7,8,9,10).
What are the key properties of 6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline?
6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline has a molecular weight of 523.36 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2H-triazolo[4,5-b]pyridine;4-pyridin-4-yl-6-(2H-triazolo[4,5-b]pyridin-6-yl)quinoline is sourced from PubChem (CID 157332457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).