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

C21H13F2N5 — CID 137372339

IUPAC6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nc(-c2cccc(F)c2)c(-c2cc(F)c3ncccc3c2)n2ccnc12
InChIInChI=1S/C21H13F2N5/c22-15-5-1-3-13(10-15)18-19(28-8-7-26-21(28)20(24)27-18)14-9-12-4-2-6-25-17(12)16(23)11-14/h1-11H,(H2,24,27)
InChIKeyPVJKDKGAZURRNA-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.47
Rot. Bonds2

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

6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 137372339) has the molecular formula C21H13F2N5 and a molecular weight of 373.37 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID137372339
Molecular FormulaC21H13F2N5
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESNc1nc(-c2cccc(F)c2)c(-c2cc(F)c3ncccc3c2)n2ccnc12
InChIInChI=1S/C21H13F2N5/c22-15-5-1-3-13(10-15)18-19(28-8-7-26-21(28)20(24)27-18)14-9-12-4-2-6-25-17(12)16(23)11-14/h1-11H,(H2,24,27)
InChIKeyPVJKDKGAZURRNA-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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine (CID 137372339) is 6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine is Nc1nc(-c2cccc(F)c2)c(-c2cc(F)c3ncccc3c2)n2ccnc12.
What is the InChIKey of 6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is PVJKDKGAZURRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N5/c22-15-5-1-3-13(10-15)18-19(28-8-7-26-21(28)20(24)27-18)14-9-12-4-2-6-25-17(12)16(23)11-14/h1-11H,(H2,24,27).
What are the key properties of 6-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine?
6-(3-fluorophenyl)-5-(8-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-(3-fluorophenyl)-5-(8-fluoroquinolin-6-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 137372339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).