2-(1-((9-methyl-6-morpholino-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol

HCID 59606077

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cn1c(CN2CCC(C(C)(C)O)CC2)nc2c(N3CCOCC3)nc(-c3cncc4[nH]ccc34)nc21
InChIKey: PSHPTTMIDXJVBO-UHFFFAOYSA-N
Molecular formula: C26H34N8O2
Average molar mass: 490.6 g/mol
Monoisotopic mass: 490.28047236

Names & identifiers

Preferred name: 2-(1-((9-methyl-6-morpholino-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol
IUPAC: 2-[1-[[9-methyl-6-morpholin-4-yl-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)purin-8-yl]methyl]piperidin-4-yl]propan-2-ol

Names & synonyms

SCHEMBL2674552PSHPTTMIDXJVBO-UHFFFAOYSA-N2-(1-((9-methyl-6-morpholino-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)-9H-purin-8-yl)methyl)piperidin-4-yl)propan-2-ol

Database identifiers

PubChem CID: 59606077

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 108 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 36
Formal charge: 0
Complexity: 743

Related reactions

3 records

New reaction record

HRID 194431As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1922887As productuspto-grants-2012_05

HRID 1945714As productuspto-grants-2013_03

Compound notes

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