2-(1-((9-methyl-6-morpholino-2-(2-propyl-1H-benzo[d]imidazol-1-yl)-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol

HCID 59605215

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(C(C)(C)O)CC3)n(C)c2n1
InChIKey: YMHUOZNBJIGMMB-UHFFFAOYSA-N
Molecular formula: C29H40N8O2
Average molar mass: 532.7 g/mol
Monoisotopic mass: 532.32742255

Names & identifiers

Preferred name: 2-(1-((9-methyl-6-morpholino-2-(2-propyl-1H-benzo[d]imidazol-1-yl)-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol
IUPAC: 2-[1-[[9-methyl-6-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)purin-8-yl]methyl]piperidin-4-yl]propan-2-ol

Names & synonyms

SCHEMBL2673912YMHUOZNBJIGMMB-UHFFFAOYSA-N2-(1-((9-methyl-6-morpholino-2-(2-propyl-1H-benzo[d]imidazol-1-yl)-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol

Database identifiers

PubChem CID: 59605215

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 97.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 39
Formal charge: 0
Complexity: 804

Related reactions

3 records

New reaction record

HRID 115371As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1922991As productuspto-grants-2012_05

HRID 1945808As productuspto-grants-2013_03

Compound notes

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