N-(3-fluoro-4-pyridinyl)-6-((trans-4-hydroxycyclohexyl)amino)-8-(3-isoxazolylamino)imidazo[1,2-b]pyridazine-3-carboxamide

HCID 59624826
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Basic information

Standard SMILES
O=C(Nc1ccncc1F)c1cnc2c(Nc3ccon3)cc(NC3CCC(O)CC3)nn12
InChIKey
ISTUAEITMKFSEJ-UHFFFAOYSA-N
Molecular formula
C21H21FN8O3
Average molar mass
452.4 g/mol

Names & identifiers

Preferred name
N-(3-fluoro-4-pyridinyl)-6-((trans-4-hydroxycyclohexyl)amino)-8-(3-isoxazolylamino)imidazo[1,2-b]pyridazine-3-carboxamide
IUPAC
N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]-8-(1,2-oxazol-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide

Names & synonyms

SCHEMBL3730769SCHEMBL3730771SCHEMBL13013466ISTUAEITMKFSEJ-JOCQHMNTSA-NN-(3-fluoro-4-pyridinyl)-6-((trans-4-hydroxycyclohexyl)amino)-8-(3-isoxazolylamino)imidazo[1,2-b]pyridazine-3-carboxamide

Database identifiers

PubChem CID
59624826

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
143 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
10
Rotatable bonds
6
Heavy atoms
33

Related reactions

1 records
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Compound notes

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