6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine

C21H13F2N5 — CID 137372584

IUPAC6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(F)ccc3c2)n2ccnc12
InChIInChI=1S/C21H13F2N5/c22-15-5-1-12(2-6-15)18-19(28-10-9-25-21(28)20(24)27-18)14-3-7-16-13(11-14)4-8-17(23)26-16/h1-11H,(H2,24,27)
InChIKeyDKUPUZJUQKXGQK-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.47
Rot. Bonds2

About 6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine

6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 137372584) has the molecular formula C21H13F2N5 and a molecular weight of 373.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID137372584
Molecular FormulaC21H13F2N5
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(F)ccc3c2)n2ccnc12
InChIInChI=1S/C21H13F2N5/c22-15-5-1-12(2-6-15)18-19(28-10-9-25-21(28)20(24)27-18)14-3-7-16-13(11-14)4-8-17(23)26-16/h1-11H,(H2,24,27)
InChIKeyDKUPUZJUQKXGQK-UHFFFAOYSA-N
XLogP4.47
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine (CID 137372584) is 6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine is Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(F)ccc3c2)n2ccnc12.
What is the InChIKey of 6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is DKUPUZJUQKXGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N5/c22-15-5-1-12(2-6-15)18-19(28-10-9-25-21(28)20(24)27-18)14-3-7-16-13(11-14)4-8-17(23)26-16/h1-11H,(H2,24,27).
What are the key properties of 6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 373.37 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-(2-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 137372584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).