5,11-Dihydro-11-[[7-methyl-3,7-diazabicyclo[3.3.0]-oct-3-yl]carbonyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one

HCID 15106905
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Basic information

Standard SMILES
CN1CC2CN(C(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2C1
InChIKey
KFIOFOGKWWNPLA-UHFFFAOYSA-N
Molecular formula
C20H21N5O2
Average molar mass
363.4 g/mol

Names & identifiers

Preferred name
5,11-Dihydro-11-[[7-methyl-3,7-diazabicyclo[3.3.0]-oct-3-yl]carbonyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
IUPAC
11-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Names & synonyms

SCHEMBL9596110KFIOFOGKWWNPLA-UHFFFAOYSA-N5,11-Dihydro-11-[[7-methyl-3,7-diazabicyclo[3.3.0]-oct-3-yl]carbonyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Database identifiers

PubChem CID
15106905

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
68.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
27

Related reactions

2 records
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Compound notes

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