3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide

C18H17FN6O2 — CID 11793365

IUPAC3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(F)c21
InChIInChI=1S/C18H17FN6O2/c1-23(2)18(26)24-8-13-14(16-21-17(27-22-16)10-6-7-10)20-9-25(13)12-5-3-4-11(19)15(12)24/h3-5,9-10H,6-8H2,1-2H3
InChIKeyUFPKEXXCLVTSBS-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.94
Rot. Bonds2

About 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (PubChem CID 11793365) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
PubChem CID11793365
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
SMILESCN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(F)c21
InChIInChI=1S/C18H17FN6O2/c1-23(2)18(26)24-8-13-14(16-21-17(27-22-16)10-6-7-10)20-9-25(13)12-5-3-4-11(19)15(12)24/h3-5,9-10H,6-8H2,1-2H3
InChIKeyUFPKEXXCLVTSBS-UHFFFAOYSA-N
XLogP2.94
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The IUPAC name of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide (CID 11793365) is 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide.
What is the SMILES notation for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The canonical SMILES for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is CN(C)C(=O)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2cccc(F)c21.
What is the InChIKey of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
The InChIKey is UFPKEXXCLVTSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-23(2)18(26)24-8-13-14(16-21-17(27-22-16)10-6-7-10)20-9-25(13)12-5-3-4-11(19)15(12)24/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide?
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-fluoro-N,N-dimethyl-4H-imidazo[1,5-a]quinoxaline-5-carboxamide is sourced from PubChem (CID 11793365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).