5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine

C18H15FN6 — CID 137372412

IUPAC5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine
SMILESCNc1cc(-c2c(-c3ccccc3)nc(N)c3nccn23)cc(F)n1
InChIInChI=1S/C18H15FN6/c1-21-14-10-12(9-13(19)23-14)16-15(11-5-3-2-4-6-11)24-17(20)18-22-7-8-25(16)18/h2-10H,1H3,(H2,20,24)(H,21,23)
InChIKeyRQKQWCXFDPZUAA-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.22
Rot. Bonds3

About 5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine

5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 137372412) has the molecular formula C18H15FN6 and a molecular weight of 334.36 g/mol. Its IUPAC name is 5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine
PubChem CID137372412
Molecular FormulaC18H15FN6
Molecular Weight334.36 g/mol
Exact Mass334.13
IUPAC Name5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine
SMILESCNc1cc(-c2c(-c3ccccc3)nc(N)c3nccn23)cc(F)n1
InChIInChI=1S/C18H15FN6/c1-21-14-10-12(9-13(19)23-14)16-15(11-5-3-2-4-6-11)24-17(20)18-22-7-8-25(16)18/h2-10H,1H3,(H2,20,24)(H,21,23)
InChIKeyRQKQWCXFDPZUAA-UHFFFAOYSA-N
XLogP3.22
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine (CID 137372412) is 5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine is CNc1cc(-c2c(-c3ccccc3)nc(N)c3nccn23)cc(F)n1.
What is the InChIKey of 5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is RQKQWCXFDPZUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6/c1-21-14-10-12(9-13(19)23-14)16-15(11-5-3-2-4-6-11)24-17(20)18-22-7-8-25(16)18/h2-10H,1H3,(H2,20,24)(H,21,23).
What are the key properties of 5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine?
5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 334.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-(methylamino)-4-pyridinyl]-6-phenylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 137372412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).