2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone

C22H23FN6O2 — CID 139878714

IUPAC2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone
SMILESC[C@@H]1c2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc2N1CC(=O)N1CCCC1
InChIInChI=1S/C22H23FN6O2/c1-13-20-19(21-25-22(31-26-21)14-4-5-14)24-12-29(20)16-7-6-15(23)10-17(16)28(13)11-18(30)27-8-2-3-9-27/h6-7,10,12-14H,2-5,8-9,11H2,1H3/t13-/m1/s1
InChIKeyJCGNVJQJUFHUHE-CYBMUJFWSA-N
MW422.46 g/mol
LogP3.44
Rot. Bonds4

About 2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone

2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 139878714) has the molecular formula C22H23FN6O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone
PubChem CID139878714
Molecular FormulaC22H23FN6O2
Molecular Weight422.46 g/mol
Exact Mass422.19
IUPAC Name2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone
SMILESC[C@@H]1c2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc2N1CC(=O)N1CCCC1
InChIInChI=1S/C22H23FN6O2/c1-13-20-19(21-25-22(31-26-21)14-4-5-14)24-12-29(20)16-7-6-15(23)10-17(16)28(13)11-18(30)27-8-2-3-9-27/h6-7,10,12-14H,2-5,8-9,11H2,1H3/t13-/m1/s1
InChIKeyJCGNVJQJUFHUHE-CYBMUJFWSA-N
XLogP3.44
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxaline-5-carbonyl chloride
CID 10570476
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4H-imidazo[1,5-a]quinoxalin-5-yl]-imidazol-1-ylmethanone
CID 22912860
[6-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-pyrrolidin-1-ylmethanone
CID 10501746
[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 90491474
5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-14-fluoro-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one
CID 22914501
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methoxy-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 15268196
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10519853
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120629924
[7-chloro-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxalin-5-yl]-phenylmethanone
CID 22912904
1-[(3S)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 95161118
1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 46096475
(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53032681

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone (CID 139878714) is 2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone is C[C@@H]1c2c(-c3noc(C4CC4)n3)ncn2-c2ccc(F)cc2N1CC(=O)N1CCCC1.
What is the InChIKey of 2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is JCGNVJQJUFHUHE-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23FN6O2/c1-13-20-19(21-25-22(31-26-21)14-4-5-14)24-12-29(20)16-7-6-15(23)10-17(16)28(13)11-18(30)27-8-2-3-9-27/h6-7,10,12-14H,2-5,8-9,11H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone?
2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 422.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-7-fluoro-4-methyl-4H-imidazo[1,5-a]quinoxalin-5-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 139878714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).