3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

C24H22N6O3 — CID 67887135

IUPAC3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOC1(c2nc(-c3ncn4c3c(=O)n(Cc3ccccn3)c3ccccc34)no2)CCCC1
InChIInChI=1S/C24H22N6O3/c1-32-24(11-5-6-12-24)23-27-21(28-33-23)19-20-22(31)29(14-16-8-4-7-13-25-16)17-9-2-3-10-18(17)30(20)15-26-19/h2-4,7-10,13,15H,5-6,11-12,14H2,1H3
InChIKeyFSLKBONAMQTOKO-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.56
Rot. Bonds5

About 3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one

3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67887135) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67887135
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESCOC1(c2nc(-c3ncn4c3c(=O)n(Cc3ccccn3)c3ccccc34)no2)CCCC1
InChIInChI=1S/C24H22N6O3/c1-32-24(11-5-6-12-24)23-27-21(28-33-23)19-20-22(31)29(14-16-8-4-7-13-25-16)17-9-2-3-10-18(17)30(20)15-26-19/h2-4,7-10,13,15H,5-6,11-12,14H2,1H3
InChIKeyFSLKBONAMQTOKO-UHFFFAOYSA-N
XLogP3.56
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-chloro-3-[5-(1-methoxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886194
6-fluoro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886944
3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887662
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
6-chloro-3-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67886927
7-chloro-5-(1-hydroxypropan-2-yl)-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67886792
6-fluoro-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67888733
3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 171351342
5-(2-methoxyethyl)-3-[5-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67886449
3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-[2-(4-hydroxypiperidin-1-yl)ethyl]imidazo[1,5-a]quinoxalin-4-one
CID 67889406
6-chloro-3-[5-(1-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887304
5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 126813335

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (CID 67887135) is 3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is COC1(c2nc(-c3ncn4c3c(=O)n(Cc3ccccn3)c3ccccc34)no2)CCCC1.
What is the InChIKey of 3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is FSLKBONAMQTOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-32-24(11-5-6-12-24)23-27-21(28-33-23)19-20-22(31)29(14-16-8-4-7-13-25-16)17-9-2-3-10-18(17)30(20)15-26-19/h2-4,7-10,13,15H,5-6,11-12,14H2,1H3.
What are the key properties of 3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 442.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67887135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).