3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile

C23H21FN6O3 — CID 67889268

IUPAC3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
SMILESCC1(n2c(=O)c3c(-c4noc(C5CCCC5)n4)ncn3c3ccc(F)c(C#N)c32)CCCO1
InChIInChI=1S/C23H21FN6O3/c1-23(9-4-10-32-23)30-18-14(11-25)15(24)7-8-16(18)29-12-26-17(19(29)22(30)31)20-27-21(33-28-20)13-5-2-3-6-13/h7-8,12-13H,2-6,9-10H2,1H3
InChIKeyGGHJHEFZGGKUFB-UHFFFAOYSA-N
MW448.46 g/mol
LogP3.85
Rot. Bonds3

About 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile

3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile (PubChem CID 67889268) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
PubChem CID67889268
Molecular FormulaC23H21FN6O3
Molecular Weight448.46 g/mol
Exact Mass448.17
IUPAC Name3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
SMILESCC1(n2c(=O)c3c(-c4noc(C5CCCC5)n4)ncn3c3ccc(F)c(C#N)c32)CCCO1
InChIInChI=1S/C23H21FN6O3/c1-23(9-4-10-32-23)30-18-14(11-25)15(24)7-8-16(18)29-12-26-17(19(29)22(30)31)20-27-21(33-28-20)13-5-2-3-6-13/h7-8,12-13H,2-6,9-10H2,1H3
InChIKeyGGHJHEFZGGKUFB-UHFFFAOYSA-N
XLogP3.85
TPSA111.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methoxyethyl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889497
3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(1-methoxypropan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 56616607
5-(2-methyloxolan-2-yl)-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67886818
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
7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-oxo-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889767
6-chloro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(2-methyloxolan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67886470
7-fluoro-5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67888722
7-fluoro-3-[5-(1-hydroxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 57039104
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67888172
7-fluoro-5-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889189
5-butan-2-yl-7-fluoro-3-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67886988
7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67887036

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile?
The IUPAC name of 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) is 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile.
What is the SMILES notation for 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile?
The canonical SMILES for 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile is CC1(n2c(=O)c3c(-c4noc(C5CCCC5)n4)ncn3c3ccc(F)c(C#N)c32)CCCO1.
What is the InChIKey of 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile?
The InChIKey is GGHJHEFZGGKUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3/c1-23(9-4-10-32-23)30-18-14(11-25)15(24)7-8-16(18)29-12-26-17(19(29)22(30)31)20-27-21(33-28-20)13-5-2-3-6-13/h7-8,12-13H,2-6,9-10H2,1H3.
What are the key properties of 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile?
3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile has a molecular weight of 448.46 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-7-fluoro-5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile is sourced from PubChem (CID 67889268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).