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

C22H21ClN6O4 — CID 67886792

IUPAC7-chloro-5-(1-hydroxypropan-2-yl)-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
SMILESCOC1(c2nc(-c3ncn4c3c(=O)n(C(C)CO)c3c(C#N)c(Cl)ccc34)no2)CCCC1
InChIInChI=1S/C22H21ClN6O4/c1-12(10-30)29-17-13(9-24)14(23)5-6-15(17)28-11-25-16(18(28)20(29)31)19-26-21(33-27-19)22(32-2)7-3-4-8-22/h5-6,11-12,30H,3-4,7-8,10H2,1-2H3
InChIKeyVSMAKDVJEMVTBT-UHFFFAOYSA-N
MW468.90 g/mol
LogP3.19
Rot. Bonds5

About 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

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 (PubChem CID 67886792) has the molecular formula C22H21ClN6O4 and a molecular weight of 468.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-chloro-5-(1-hydroxypropan-2-yl)-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
PubChem CID67886792
Molecular FormulaC22H21ClN6O4
Molecular Weight468.90 g/mol
Exact Mass468.13
IUPAC Name7-chloro-5-(1-hydroxypropan-2-yl)-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
SMILESCOC1(c2nc(-c3ncn4c3c(=O)n(C(C)CO)c3c(C#N)c(Cl)ccc34)no2)CCCC1
InChIInChI=1S/C22H21ClN6O4/c1-12(10-30)29-17-13(9-24)14(23)5-6-15(17)28-11-25-16(18(28)20(29)31)19-26-21(33-27-19)22(32-2)7-3-4-8-22/h5-6,11-12,30H,3-4,7-8,10H2,1-2H3
InChIKeyVSMAKDVJEMVTBT-UHFFFAOYSA-N
XLogP3.19
TPSA131.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.90
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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
5-butan-2-yl-7-chloro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 56618738
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
6-fluoro-3-[5-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-3-yl]-5-(1-hydroxypropan-2-yl)imidazo[1,5-a]quinoxalin-4-one
CID 67888110
7-chloro-3-[5-(1-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-4-oxo-5-(oxolan-2-ylmethyl)imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889759
7-fluoro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-4-methyl-5-oxidoimidazo[1,5-a]quinoxalin-5-ium-6-carbonitrile
CID 67886943
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-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67886701
7-chloro-3-[3-(1-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-oxo-5-propan-2-ylimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67886003
3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 67887135
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC1(c2nc(-c3ncn4c3c(=O)n(C(C)CO)c3c(C#N)c(Cl)ccc34)no2)CCCC1.
What is the InChIKey of 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?
The InChIKey is VSMAKDVJEMVTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O4/c1-12(10-30)29-17-13(9-24)14(23)5-6-15(17)28-11-25-16(18(28)20(29)31)19-26-21(33-27-19)22(32-2)7-3-4-8-22/h5-6,11-12,30H,3-4,7-8,10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 468.90 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67886792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).