6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline

C43H26BrF2N11 — CID 157449119

IUPAC6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline
SMILESFc1cc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)ccc1Br.[C-]#[N+]c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIInChI=1S/C22H13FN6.C21H13BrFN5/c1-24-20-7-5-16(11-18(20)23)21-13-27-22-26-12-17(29(22)28-21)10-14-4-6-19-15(9-14)3-2-8-25-19;22-17-5-4-15(10-18(17)23)20-12-26-21-25-11-16(28(21)27-20)9-13-3-6-19-14(8-13)2-1-7-24-19/h2-9,11-13H,10H2;1-8,10-12H,9H2
InChIKeyBSOXPPYXWHPOHS-UHFFFAOYSA-N
MW814.66 g/mol
LogP9.45
Rot. Bonds6

About 6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline

6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline (PubChem CID 157449119) has the molecular formula C43H26BrF2N11 and a molecular weight of 814.66 g/mol. Its IUPAC name is 6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline
PubChem CID157449119
Molecular FormulaC43H26BrF2N11
Molecular Weight814.66 g/mol
Exact Mass813.15
IUPAC Name6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline
SMILESFc1cc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)ccc1Br.[C-]#[N+]c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIInChI=1S/C22H13FN6.C21H13BrFN5/c1-24-20-7-5-16(11-18(20)23)21-13-27-22-26-12-17(29(22)28-21)10-14-4-6-19-15(9-14)3-2-8-25-19;22-17-5-4-15(10-18(17)23)20-12-26-21-25-11-16(28(21)27-20)9-13-3-6-19-14(8-13)2-1-7-24-19/h2-9,11-13H,10H2;1-8,10-12H,9H2
InChIKeyBSOXPPYXWHPOHS-UHFFFAOYSA-N
XLogP9.45
TPSA116.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.66
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[Difluoro-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045762
6-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]quinoline
CID 70677397
6-[Difluoro-[6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045833
7-Fluoro-3-(1-methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137632523
5,7-Difluoro-3-(1-methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137652089
3-(6-Quinolylmethyl)-6-[(1-benzyl)-4-pyrazolyl][1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406042
3-(6-Quinolylmethyl)-6-(3-quinolyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406043
3-(6-Quinolylmethyl)-6-(4-bromophenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406223
6-[Difluoro(6-phenyl-1,2,4-triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
CID 57406399
7-Fluoro-3-(4-fluorophenyl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137652846
5,7-Difluoro-3-(4-fluorophenyl)-6-[1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 137659897
6-(1-(2-(4-Fluorophenyl)imidazo[1,2-b][1,2,4]-triazin-7-yl)cyclopropyl)quinoline
CID 25145511

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline?
The IUPAC name of 6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline (CID 157449119) is 6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline.
What is the SMILES notation for 6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline?
The canonical SMILES for 6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline is Fc1cc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)ccc1Br.[C-]#[N+]c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.
What is the InChIKey of 6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline?
The InChIKey is BSOXPPYXWHPOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN6.C21H13BrFN5/c1-24-20-7-5-16(11-18(20)23)21-13-27-22-26-12-17(29(22)28-21)10-14-4-6-19-15(9-14)3-2-8-25-19;22-17-5-4-15(10-18(17)23)20-12-26-21-25-11-16(28(21)27-20)9-13-3-6-19-14(8-13)2-1-7-24-19/h2-9,11-13H,10H2;1-8,10-12H,9H2.
What are the key properties of 6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline?
6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline has a molecular weight of 814.66 g/mol, XLogP of 9.45, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-bromo-3-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline;6-[[2-(3-fluoro-4-isocyanophenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline is sourced from PubChem (CID 157449119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).