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

C23H18FN5O — CID 127038511

IUPAC8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline
SMILESCOc1cc(-c2ccc(F)nc2)cc2c1nc(C)c1c(C)nc(-c3ccncc3)n12
InChIInChI=1S/C23H18FN5O/c1-13-22-14(2)28-23(15-6-8-25-9-7-15)29(22)18-10-17(11-19(30-3)21(18)27-13)16-4-5-20(24)26-12-16/h4-12H,1-3H3
InChIKeyVEYWHNZHTOXBLT-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.77
Rot. Bonds3

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

8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline (PubChem CID 127038511) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline
PubChem CID127038511
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline
SMILESCOc1cc(-c2ccc(F)nc2)cc2c1nc(C)c1c(C)nc(-c3ccncc3)n12
InChIInChI=1S/C23H18FN5O/c1-13-22-14(2)28-23(15-6-8-25-9-7-15)29(22)18-10-17(11-19(30-3)21(18)27-13)16-4-5-20(24)26-12-16/h4-12H,1-3H3
InChIKeyVEYWHNZHTOXBLT-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'}

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

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Related Compounds

8-Fluoro-6-Methoxy-3,4-Dimethyl-1-(3-Methylpyridin-4-Yl)imidazo[1,5-A]quinoxaline
CID 42630191
Branosotine
CID 146450467
AZ191
CID 72716071
8-((4-Fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline
CID 25094493
8-Fluoro-6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630192
8-Fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
CID 42630193
6,8-Dimethoxy-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630317
6,8-Dimethoxy-3,4-dimethyl-1-(3-methyl-4-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630318
6,8-Dimethoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630437
6-Methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)-8-phenylmethoxyimidazo[1,5-a]quinoxaline
CID 49821394
8-(Difluoromethoxy)-6-methoxy-3,4-dimethyl-1-(2-methylpyridin-3-yl)imidazo[1,5-a]quinoxaline
CID 49821396
4-[6-Methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxalin-8-yl]morpholine
CID 56648951

Frequently Asked Questions

What is the IUPAC name of 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline?
The IUPAC name of 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline (CID 127038511) is 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline.
What is the SMILES notation for 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline?
The canonical SMILES for 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline is COc1cc(-c2ccc(F)nc2)cc2c1nc(C)c1c(C)nc(-c3ccncc3)n12.
What is the InChIKey of 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline?
The InChIKey is VEYWHNZHTOXBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c1-13-22-14(2)28-23(15-6-8-25-9-7-15)29(22)18-10-17(11-19(30-3)21(18)27-13)16-4-5-20(24)26-12-16/h4-12H,1-3H3.
What are the key properties of 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline?
8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-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 8-(6-fluoro-3-pyridinyl)-6-methoxy-3,4-dimethyl-1-pyridin-4-ylimidazo[1,5-a]quinoxaline is sourced from PubChem (CID 127038511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).