6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine

C22H13FN6 — CID 155642592

IUPAC6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILES[C-]#[N+]c1cc(-c2c(-c3cccc(F)c3)nc(N)c3nccn23)cc2cccnc12
InChIInChI=1S/C22H13FN6/c1-25-17-12-15(10-13-5-3-7-26-18(13)17)20-19(14-4-2-6-16(23)11-14)28-21(24)22-27-8-9-29(20)22/h2-12H,(H2,24,28)
InChIKeyLYGPISBRNYFPIX-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.88
Rot. Bonds2

About 6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine

6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 155642592) has the molecular formula C22H13FN6 and a molecular weight of 380.39 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID155642592
Molecular FormulaC22H13FN6
Molecular Weight380.39 g/mol
Exact Mass380.12
IUPAC Name6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILES[C-]#[N+]c1cc(-c2c(-c3cccc(F)c3)nc(N)c3nccn23)cc2cccnc12
InChIInChI=1S/C22H13FN6/c1-25-17-12-15(10-13-5-3-7-26-18(13)17)20-19(14-4-2-6-16(23)11-14)28-21(24)22-27-8-9-29(20)22/h2-12H,(H2,24,28)
InChIKeyLYGPISBRNYFPIX-UHFFFAOYSA-N
XLogP4.88
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 137372339
6-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-N,N-dimethylquinolin-8-amine
CID 137372474
6-[8-amino-6-(3-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]naphthalen-1-ol
CID 137372580
6-(3-fluorophenyl)-5-[2-methyl-6-(methylamino)-4-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 137372409
5-(8-fluoroquinolin-6-yl)-6-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 137372734
5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
CID 137372402
5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine
CID 137372412
4-(8-amino-5-quinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)pyridine-2-carbonitrile
CID 137372351
8-amino-3-ethyl-6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 137372620
6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 137372584
8-chloro-6-(3-fluorophenyl)quinoline
CID 174995672
5-[8-amino-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-5-yl]-3-methyl-1H-pyridin-2-one
CID 137372612

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine (CID 155642592) is 6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine is [C-]#[N+]c1cc(-c2c(-c3cccc(F)c3)nc(N)c3nccn23)cc2cccnc12.
What is the InChIKey of 6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is LYGPISBRNYFPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN6/c1-25-17-12-15(10-13-5-3-7-26-18(13)17)20-19(14-4-2-6-16(23)11-14)28-21(24)22-27-8-9-29(20)22/h2-12H,(H2,24,28).
What are the key properties of 6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 380.39 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-5-(8-isocyanoquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 155642592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).