1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline

C23H18FN5O — CID 127040517

IUPAC1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline
SMILESCOc1cc(-c2cccnc2)cc2c1nc(C)c1c(C)nc(-c3ccnc(F)c3)n12
InChIInChI=1S/C23H18FN5O/c1-13-22-14(2)28-23(15-6-8-26-20(24)11-15)29(22)18-9-17(16-5-4-7-25-12-16)10-19(30-3)21(18)27-13/h4-12H,1-3H3
InChIKeyHBIJATLZLNIQGM-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.77
Rot. Bonds3

About 1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline

1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline (PubChem CID 127040517) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is 1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline
PubChem CID127040517
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline
SMILESCOc1cc(-c2cccnc2)cc2c1nc(C)c1c(C)nc(-c3ccnc(F)c3)n12
InChIInChI=1S/C23H18FN5O/c1-13-22-14(2)28-23(15-6-8-26-20(24)11-15)29(22)18-9-17(16-5-4-7-25-12-16)10-19(30-3)21(18)27-13/h4-12H,1-3H3
InChIKeyHBIJATLZLNIQGM-UHFFFAOYSA-N
XLogP4.77
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
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 1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline?
The IUPAC name of 1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline (CID 127040517) is 1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline.
What is the SMILES notation for 1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline?
The canonical SMILES for 1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline is COc1cc(-c2cccnc2)cc2c1nc(C)c1c(C)nc(-c3ccnc(F)c3)n12.
What is the InChIKey of 1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline?
The InChIKey is HBIJATLZLNIQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c1-13-22-14(2)28-23(15-6-8-26-20(24)11-15)29(22)18-9-17(16-5-4-7-25-12-16)10-19(30-3)21(18)27-13/h4-12H,1-3H3.
What are the key properties of 1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline?
1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline has a molecular weight of 399.43 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-pyridinyl)-6-methoxy-3,4-dimethyl-8-pyridin-3-ylimidazo[1,5-a]quinoxaline is sourced from PubChem (CID 127040517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).