5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one

C25H21N3O — CID 3479884

IUPAC5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
SMILESO=C1C2=C(C(c3ccccc3)=NCCN2)C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C25H21N3O/c29-25-23-21(22(26-16-17-27-23)18-10-4-1-5-11-18)24(19-12-6-2-7-13-19)28(25)20-14-8-3-9-15-20/h1-15,24,27H,16-17H2
InChIKeyOKFIQTKGUZVZIM-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.12
Rot. Bonds3

About 5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one

5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one (PubChem CID 3479884) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one.

Molecular Properties

Compound Name5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
PubChem CID3479884
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one
SMILESO=C1C2=C(C(c3ccccc3)=NCCN2)C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C25H21N3O/c29-25-23-21(22(26-16-17-27-23)18-10-4-1-5-11-18)24(19-12-6-2-7-13-19)28(25)20-14-8-3-9-15-20/h1-15,24,27H,16-17H2
InChIKeyOKFIQTKGUZVZIM-UHFFFAOYSA-N
XLogP4.12
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-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 5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one?
The IUPAC name of 5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one (CID 3479884) is 5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one.
What is the SMILES notation for 5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one?
The canonical SMILES for 5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one is O=C1C2=C(C(c3ccccc3)=NCCN2)C(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one?
The InChIKey is OKFIQTKGUZVZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c29-25-23-21(22(26-16-17-27-23)18-10-4-1-5-11-18)24(19-12-6-2-7-13-19)28(25)20-14-8-3-9-15-20/h1-15,24,27H,16-17H2.
What are the key properties of 5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one?
5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one has a molecular weight of 379.46 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-triphenyl-1,2,3,6-tetrahydropyrrolo[3,4-e][1,4]diazepin-8-one is sourced from PubChem (CID 3479884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).