1-((9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-6-morpholino-9H-purin-8-yl)methyl)piperidine-4-carbonitrile

HCID 59605480

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(C#N)CC3)n(C)c2n1
InChIKey: HMJUSRSNBBJVDA-UHFFFAOYSA-N
Molecular formula: C25H29N9O
Average molar mass: 471.6 g/mol

Names & identifiers

Preferred name: 1-((9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-6-morpholino-9H-purin-8-yl)methyl)piperidine-4-carbonitrile
IUPAC: 1-[[9-methyl-2-(2-methylbenzimidazol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidine-4-carbonitrile

Names & synonyms

SCHEMBL2673840HMJUSRSNBBJVDA-UHFFFAOYSA-N1-((9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-6-morpholino-9H-purin-8-yl)methyl)piperidine-4-carbonitrile

Database identifiers

PubChem CID: 59605480

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 101 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 35
Formal charge: 0
Complexity: 776

Related reactions

3 records

New reaction record

HRID 185524As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1923041As productuspto-grants-2012_05

HRID 1945860As productuspto-grants-2013_03

Compound notes

Loading…