6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline

C19H20FN5O — CID 42630188

IUPAC6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline
SMILESCOc1cc(F)c2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2c1
InChIInChI=1S/C19H20FN5O/c1-9-16(12(4)24(5)23-9)19-22-11(3)18-10(2)21-17-14(20)7-13(26-6)8-15(17)25(18)19/h7-8H,1-6H3
InChIKeyDYFFQXLHZJUSTD-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.66
Rot. Bonds2

About 6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline

6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline (PubChem CID 42630188) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline
PubChem CID42630188
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline
SMILESCOc1cc(F)c2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2c1
InChIInChI=1S/C19H20FN5O/c1-9-16(12(4)24(5)23-9)19-22-11(3)18-10(2)21-17-14(20)7-13(26-6)8-15(17)25(18)19/h7-8H,1-6H3
InChIKeyDYFFQXLHZJUSTD-UHFFFAOYSA-N
XLogP3.66
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline?
The IUPAC name of 6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline (CID 42630188) is 6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline.
What is the SMILES notation for 6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline?
The canonical SMILES for 6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline is COc1cc(F)c2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2c1.
What is the InChIKey of 6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline?
The InChIKey is DYFFQXLHZJUSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-9-16(12(4)24(5)23-9)19-22-11(3)18-10(2)21-17-14(20)7-13(26-6)8-15(17)25(18)19/h7-8H,1-6H3.
What are the key properties of 6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline?
6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline has a molecular weight of 353.40 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline is sourced from PubChem (CID 42630188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).