6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline

C24H16FN7 — CID 59420932

IUPAC6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline
SMILESFc1cc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)ccc1-n1ccnc1
InChIInChI=1S/C24H16FN7/c25-20-12-18(4-6-23(20)31-9-8-26-15-31)22-14-29-24-28-13-19(32(24)30-22)11-16-3-5-21-17(10-16)2-1-7-27-21/h1-10,12-15H,11H2
InChIKeyYGGUOORXBCCYII-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.26
Rot. Bonds4

About 6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline

6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline (PubChem CID 59420932) has the molecular formula C24H16FN7 and a molecular weight of 421.44 g/mol. Its IUPAC name is 6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline
PubChem CID59420932
Molecular FormulaC24H16FN7
Molecular Weight421.44 g/mol
Exact Mass421.15
IUPAC Name6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline
SMILESFc1cc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)ccc1-n1ccnc1
InChIInChI=1S/C24H16FN7/c25-20-12-18(4-6-23(20)31-9-8-26-15-31)22-14-29-24-28-13-19(32(24)30-22)11-16-3-5-21-17(10-16)2-1-7-27-21/h1-10,12-15H,11H2
InChIKeyYGGUOORXBCCYII-UHFFFAOYSA-N
XLogP4.26
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline?
The IUPAC name of 6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline (CID 59420932) is 6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline.
What is the SMILES notation for 6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline?
The canonical SMILES for 6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline is Fc1cc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)ccc1-n1ccnc1.
What is the InChIKey of 6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline?
The InChIKey is YGGUOORXBCCYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN7/c25-20-12-18(4-6-23(20)31-9-8-26-15-31)22-14-29-24-28-13-19(32(24)30-22)11-16-3-5-21-17(10-16)2-1-7-27-21/h1-10,12-15H,11H2.
What are the key properties of 6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline?
6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline has a molecular weight of 421.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline is sourced from PubChem (CID 59420932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).