2-(4-Fluorophenyl)-1-(2-cyclopentylamino-4-pyrimidinyl)-5-(morpholino)imidazo[4,5-b]pyridine

HCID 9825445

Notes Reactions

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Basic information

Standard SMILES: Fc1ccc(-c2nc3nc(N4CCOCC4)ccc3n2-c2ccnc(NC3CCCC3)n2)cc1
InChIKey: YGDCPBYTBSIICB-UHFFFAOYSA-N
Molecular formula: C25H26FN7O
Average molar mass: 459.5 g/mol
Monoisotopic mass: 459.21828664

Names & identifiers

Preferred name: 2-(4-Fluorophenyl)-1-(2-cyclopentylamino-4-pyrimidinyl)-5-(morpholino)imidazo[4,5-b]pyridine
IUPAC: N-cyclopentyl-4-[2-(4-fluorophenyl)-5-morpholin-4-ylimidazo[4,5-b]pyridin-1-yl]pyrimidin-2-amine

Names & synonyms

SCHEMBL6476674YGDCPBYTBSIICB-UHFFFAOYSA-N2-(4-Fluorophenyl)-1-(2-cyclopentylamino-4-pyrimidinyl)-5-(morpholino) Imidazo[4,5-b]pyridine2-(4-Fluorophenyl)-1-(2-cyclopentylamino-4-pyrimidinyl)-5-(morpholino)imidazo[4,5-b]pyridine

Database identifiers

PubChem CID: 9825445

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 81 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 34
Formal charge: 0
Complexity: 653

Related reactions

2 records

New reaction record

HRID 686426As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 2181421As productuspto-grants-2005_05

Compound notes

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