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

C21H16N6O3 — CID 67887662

IUPAC3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-c3nc(C4(O)CC4)no3)ncn2c2ccccc2n1Cc1ccccn1
InChIInChI=1S/C21H16N6O3/c28-19-17-16(18-24-20(25-30-18)21(29)8-9-21)23-12-27(17)15-7-2-1-6-14(15)26(19)11-13-5-3-4-10-22-13/h1-7,10,12,29H,8-9,11H2
InChIKeyNHLBVNFTDSMERN-UHFFFAOYSA-N
MW400.40 g/mol
LogP2.12
Rot. Bonds4

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

3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67887662) has the molecular formula C21H16N6O3 and a molecular weight of 400.40 g/mol. Its IUPAC name is 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
PubChem CID67887662
Molecular FormulaC21H16N6O3
Molecular Weight400.40 g/mol
Exact Mass400.13
IUPAC Name3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
SMILESO=c1c2c(-c3nc(C4(O)CC4)no3)ncn2c2ccccc2n1Cc1ccccn1
InChIInChI=1S/C21H16N6O3/c28-19-17-16(18-24-20(25-30-18)21(29)8-9-21)23-12-27(17)15-7-2-1-6-14(15)26(19)11-13-5-3-4-10-22-13/h1-7,10,12,29H,8-9,11H2
InChIKeyNHLBVNFTDSMERN-UHFFFAOYSA-N
XLogP2.12
TPSA111.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887544
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-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887135
3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 171351342
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-cyclopentyl-1,2,4-oxadiazol-5-yl)-7-fluoro-4-oxo-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67888172
5-[(2-chlorophenyl)methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)imidazo[1,5-a]quinoxalin-4-one
CID 19980273
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
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
5-(2-morpholin-4-ylethyl)-3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxalin-4-one
CID 67887527
6-chloro-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)imidazo[1,5-a]quinoxalin-4-one
CID 56635280

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one (CID 67887662) is 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is O=c1c2c(-c3nc(C4(O)CC4)no3)ncn2c2ccccc2n1Cc1ccccn1.
What is the InChIKey of 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is NHLBVNFTDSMERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O3/c28-19-17-16(18-24-20(25-30-18)21(29)8-9-21)23-12-27(17)15-7-2-1-6-14(15)26(19)11-13-5-3-4-10-22-13/h1-7,10,12,29H,8-9,11H2.
What are the key properties of 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one?
3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 400.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67887662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).