7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile

C25H28ClN7O3 — CID 57005050

IUPAC7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile
SMILESCOC1(c2nc(-c3ncn4c3CN(CCN3CCOCC3)c3c-4ccc(Cl)c3C#N)no2)CCCC1
InChIInChI=1S/C25H28ClN7O3/c1-34-25(6-2-3-7-25)24-29-23(30-36-24)21-20-15-32(9-8-31-10-12-35-13-11-31)22-17(14-27)18(26)4-5-19(22)33(20)16-28-21/h4-5,16H,2-3,6-13,15H2,1H3
InChIKeyZXWCJJLIXFHUIZ-UHFFFAOYSA-N
MW510.00 g/mol
LogP3.52
Rot. Bonds6

About 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile

7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile (PubChem CID 57005050) has the molecular formula C25H28ClN7O3 and a molecular weight of 510.00 g/mol. Its IUPAC name is 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile
PubChem CID57005050
Molecular FormulaC25H28ClN7O3
Molecular Weight510.00 g/mol
Exact Mass509.19
IUPAC Name7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile
SMILESCOC1(c2nc(-c3ncn4c3CN(CCN3CCOCC3)c3c-4ccc(Cl)c3C#N)no2)CCCC1
InChIInChI=1S/C25H28ClN7O3/c1-34-25(6-2-3-7-25)24-29-23(30-36-24)21-20-15-32(9-8-31-10-12-35-13-11-31)22-17(14-27)18(26)4-5-19(22)33(20)16-28-21/h4-5,16H,2-3,6-13,15H2,1H3
InChIKeyZXWCJJLIXFHUIZ-UHFFFAOYSA-N
XLogP3.52
TPSA105.47 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.00
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile with MolForge

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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
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
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
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
5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 126813335
7-chloro-3-[3-(1-hydroxycyclopropyl)-1,2,4-oxadiazol-5-yl]-5-(2-morpholin-4-ylethyl)-4-oxoimidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67886730
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
7-chloro-5-(2-morpholin-4-ylethyl)-4-oxo-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]imidazo[1,5-a]quinoxaline-6-carbonitrile
CID 67889132
5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole
CID 154870100
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
7-chloro-8-fluoro-5-methyl-3-[5-(piperidin-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;hydrochloride
CID 22914251
4-[3-[(3aS,6aS)-3a-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propyl]morpholine
CID 128966757

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile?
The IUPAC name of 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile (CID 57005050) is 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile.
What is the SMILES notation for 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile?
The canonical SMILES for 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile is COC1(c2nc(-c3ncn4c3CN(CCN3CCOCC3)c3c-4ccc(Cl)c3C#N)no2)CCCC1.
What is the InChIKey of 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile?
The InChIKey is ZXWCJJLIXFHUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN7O3/c1-34-25(6-2-3-7-25)24-29-23(30-36-24)21-20-15-32(9-8-31-10-12-35-13-11-31)22-17(14-27)18(26)4-5-19(22)33(20)16-28-21/h4-5,16H,2-3,6-13,15H2,1H3.
What are the key properties of 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile?
7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile has a molecular weight of 510.00 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[5-(1-methoxycyclopentyl)-1,2,4-oxadiazol-3-yl]-5-(2-morpholin-4-ylethyl)-4H-imidazo[1,5-a]quinoxaline-6-carbonitrile is sourced from PubChem (CID 57005050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).