6-((trans)-4-aminocyclohexylamino)-8-(cyclopropyl(4-methoxybenzyl)amino)-N-(2-fluoropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide

HCID 59624636
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Basic information

Standard SMILES
COc1ccc(CN(c2cc(NC3CCC(N)CC3)nn3c(C(=O)Nc4ccnc(F)c4)cnc23)C2CC2)cc1
InChIKey
NAEANMIPQDLXAL-UHFFFAOYSA-N
Molecular formula
C29H33FN8O2
Average molar mass
544.6 g/mol

Names & identifiers

Preferred name
6-((trans)-4-aminocyclohexylamino)-8-(cyclopropyl(4-methoxybenzyl)amino)-N-(2-fluoropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
IUPAC
6-[(4-aminocyclohexyl)amino]-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

Names & synonyms

SCHEMBL3722334SCHEMBL3722340SCHEMBL13013388NAEANMIPQDLXAL-MXVIHJGJSA-N6-((trans)-4-aminocyclohexylamino)-8-(cyclopropyl(4-methoxybenzyl)amino)-N-(2-fluoropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide

Database identifiers

PubChem CID
59624636

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
123 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
40

Related reactions

2 records
New reaction record

Compound notes

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