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2-[[4-([1,2,5]Thiadiazolo[3,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

HCID 77529016
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=c1ccc2ccc(=O)n3c2n1CC3CN1CCC(NCc2cnc3nsnc3c2)CC1
InChIKey
UVVRJTUMMNJDBE-UHFFFAOYSA-N
Molecular formula
C22H23N7O2S
Average molar mass
449.5 g/mol

Names & identifiers

Preferred name
2-[[4-([1,2,5]Thiadiazolo[3,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
IUPAC
2-[[4-([1,2,5]thiadiazolo[3,4-b]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

Names & synonyms

SCHEMBL21372220

Database identifiers

PubChem CID
77529016

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
123 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
32
Formal charge
0
Complexity
882

Related reactions

1 records
New reaction record
HRID 799227 reaction equation
HRID 799227As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes