8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

C23H17FN6O2 — CID 22914586

IUPAC8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCN1Cc2c(-c3noc(Cn4cc5ccccc5c4)n3)ncn2-c2ccc(F)cc2C1=O
InChIInChI=1S/C23H17FN6O2/c1-28-11-19-21(25-13-30(19)18-7-6-16(24)8-17(18)23(28)31)22-26-20(32-27-22)12-29-9-14-4-2-3-5-15(14)10-29/h2-10,13H,11-12H2,1H3
InChIKeyYPFBYUHHONDTTB-UHFFFAOYSA-N
MW428.43 g/mol
LogP3.65
Rot. Bonds3

About 8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 22914586) has the molecular formula C23H17FN6O2 and a molecular weight of 428.43 g/mol. Its IUPAC name is 8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID22914586
Molecular FormulaC23H17FN6O2
Molecular Weight428.43 g/mol
Exact Mass428.14
IUPAC Name8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCN1Cc2c(-c3noc(Cn4cc5ccccc5c4)n3)ncn2-c2ccc(F)cc2C1=O
InChIInChI=1S/C23H17FN6O2/c1-28-11-19-21(25-13-30(19)18-7-6-16(24)8-17(18)23(28)31)22-26-20(32-27-22)12-29-9-14-4-2-3-5-15(14)10-29/h2-10,13H,11-12H2,1H3
InChIKeyYPFBYUHHONDTTB-UHFFFAOYSA-N
XLogP3.65
TPSA81.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 22914586) is 8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CN1Cc2c(-c3noc(Cn4cc5ccccc5c4)n3)ncn2-c2ccc(F)cc2C1=O.
What is the InChIKey of 8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is YPFBYUHHONDTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O2/c1-28-11-19-21(25-13-30(19)18-7-6-16(24)8-17(18)23(28)31)22-26-20(32-27-22)12-29-9-14-4-2-3-5-15(14)10-29/h2-10,13H,11-12H2,1H3.
What are the key properties of 8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 428.43 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-[5-(isoindol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 22914586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).