6-((trans)-4-aminocyclohexylamino)-N-(2-chloropyridin-4-yl)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide

HCID 59624598

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: NC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccnc(Cl)c4)n3n2)CC1
InChIKey: TWBBBOWNUJGHAS-UHFFFAOYSA-N
Molecular formula: C21H25ClN8O
Average molar mass: 440.9 g/mol

Names & identifiers

Preferred name: 6-((trans)-4-aminocyclohexylamino)-N-(2-chloropyridin-4-yl)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide
IUPAC: 6-[(4-aminocyclohexyl)amino]-N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide

Names & synonyms

SCHEMBL3723108SCHEMBL3723112SCHEMBL13013374TWBBBOWNUJGHAS-MQMHXKEQSA-N6-((trans)-4-aminocyclohexylamino)-N-(2-chloropyridin-4-yl)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide

Database identifiers

PubChem CID: 59624598

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 122 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 31
Formal charge: 0
Complexity: 629

Related reactions

2 records

New reaction record

HRID 102232As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1237989As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

Loading…