2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione

C23H15FN6O4 — CID 22914553

IUPAC2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione
SMILESCN1Cc2c(-c3nc(CN4C(=O)c5ccccc5C4=O)no3)ncn2-c2ccc(F)cc2C1=O
InChIInChI=1S/C23H15FN6O4/c1-28-9-17-19(25-11-30(17)16-7-6-12(24)8-15(16)21(28)31)20-26-18(27-34-20)10-29-22(32)13-4-2-3-5-14(13)23(29)33/h2-8,11H,9-10H2,1H3
InChIKeySXNQLPUIGNYBAB-UHFFFAOYSA-N
MW458.41 g/mol
LogP2.44
Rot. Bonds3

About 2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione

2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione (PubChem CID 22914553) has the molecular formula C23H15FN6O4 and a molecular weight of 458.41 g/mol. Its IUPAC name is 2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione
PubChem CID22914553
Molecular FormulaC23H15FN6O4
Molecular Weight458.41 g/mol
Exact Mass458.11
IUPAC Name2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione
SMILESCN1Cc2c(-c3nc(CN4C(=O)c5ccccc5C4=O)no3)ncn2-c2ccc(F)cc2C1=O
InChIInChI=1S/C23H15FN6O4/c1-28-9-17-19(25-11-30(17)16-7-6-12(24)8-15(16)21(28)31)20-26-18(27-34-20)10-29-22(32)13-4-2-3-5-14(13)23(29)33/h2-8,11H,9-10H2,1H3
InChIKeySXNQLPUIGNYBAB-UHFFFAOYSA-N
XLogP2.44
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione (CID 22914553) is 2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione is CN1Cc2c(-c3nc(CN4C(=O)c5ccccc5C4=O)no3)ncn2-c2ccc(F)cc2C1=O.
What is the InChIKey of 2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione?
The InChIKey is SXNQLPUIGNYBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN6O4/c1-28-9-17-19(25-11-30(17)16-7-6-12(24)8-15(16)21(28)31)20-26-18(27-34-20)10-29-22(32)13-4-2-3-5-14(13)23(29)33/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione?
2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione has a molecular weight of 458.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 22914553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).