3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one

C23H19FN6O2 — CID 67888177

IUPAC3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC1(n2c(=O)c3c(-c4cnnn4-c4cccc(F)c4)ncn3c3ccccc32)CCCO1
InChIInChI=1S/C23H19FN6O2/c1-23(10-5-11-32-23)29-18-9-3-2-8-17(18)28-14-25-20(21(28)22(29)31)19-13-26-27-30(19)16-7-4-6-15(24)12-16/h2-4,6-9,12-14H,5,10-11H2,1H3
InChIKeyFYZMICUNKRKFOY-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.52
Rot. Bonds3

About 3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one

3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67888177) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is 3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67888177
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Name3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
SMILESCC1(n2c(=O)c3c(-c4cnnn4-c4cccc(F)c4)ncn3c3ccccc32)CCCO1
InChIInChI=1S/C23H19FN6O2/c1-23(10-5-11-32-23)29-18-9-3-2-8-17(18)28-14-25-20(21(28)22(29)31)19-13-26-27-30(19)16-7-4-6-15(24)12-16/h2-4,6-9,12-14H,5,10-11H2,1H3
InChIKeyFYZMICUNKRKFOY-UHFFFAOYSA-N
XLogP3.52
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-(2-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67888285
4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile
CID 67888370
6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67889235
3-[3-(2-methoxyphenyl)triazol-4-yl]-5-(2-methyloxolan-3-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67888309
3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889268
1-[3-(3-fluorophenyl)triazol-4-yl]ethanamine
CID 117167242
3-(5-cyclopropyltriazol-1-yl)-7-fluoro-5-(oxan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67889479
4-fluoro-2-(3-phenyltriazol-4-yl)pyridine
CID 102824567
1-[3-(3-fluorophenyl)triazol-4-yl]-2-methylpropan-2-ol
CID 117167225
5-chloro-3-ethyl-1-(3-fluorophenyl)pyrazole
CID 66020792
[(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 106831373
1-(3-fluorophenyl)-3,5-bis(1-methylpyrazol-4-yl)pyrazole
CID 19588186

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one (CID 67888177) is 3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one is CC1(n2c(=O)c3c(-c4cnnn4-c4cccc(F)c4)ncn3c3ccccc32)CCCO1.
What is the InChIKey of 3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is FYZMICUNKRKFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c1-23(10-5-11-32-23)29-18-9-3-2-8-17(18)28-14-25-20(21(28)22(29)31)19-13-26-27-30(19)16-7-4-6-15(24)12-16/h2-4,6-9,12-14H,5,10-11H2,1H3.
What are the key properties of 3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one?
3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 430.44 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenyl)triazol-4-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67888177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).