6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine

C18H21N5O — CID 58617093

IUPAC6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCCC/C=C/c1cn2ccnc2c(Nc2ccc(OC)nc2)n1
InChIInChI=1S/C18H21N5O/c1-3-4-5-6-7-15-13-23-11-10-19-18(23)17(22-15)21-14-8-9-16(24-2)20-12-14/h6-13H,3-5H2,1-2H3,(H,21,22)/b7-6+
InChIKeyXIJHVFCJMXYCJX-VOTSOKGWSA-N
MW323.40 g/mol
LogP4.08
Rot. Bonds7

About 6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine

6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 58617093) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID58617093
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCCC/C=C/c1cn2ccnc2c(Nc2ccc(OC)nc2)n1
InChIInChI=1S/C18H21N5O/c1-3-4-5-6-7-15-13-23-11-10-19-18(23)17(22-15)21-14-8-9-16(24-2)20-12-14/h6-13H,3-5H2,1-2H3,(H,21,22)/b7-6+
InChIKeyXIJHVFCJMXYCJX-VOTSOKGWSA-N
XLogP4.08
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine (CID 58617093) is 6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine is CCCC/C=C/c1cn2ccnc2c(Nc2ccc(OC)nc2)n1.
What is the InChIKey of 6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is XIJHVFCJMXYCJX-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-4-5-6-7-15-13-23-11-10-19-18(23)17(22-15)21-14-8-9-16(24-2)20-12-14/h6-13H,3-5H2,1-2H3,(H,21,22)/b7-6+.
What are the key properties of 6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 323.40 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-hex-1-enyl]-N-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 58617093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).