8-Bromo-6-chloro-N-(3-fluoropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide

HCID 59624495

Notes Reactions

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Basic information

CAS: 1177415-98-3
Standard SMILES: O=C(Nc1ccncc1F)c1cnc2c(Br)cc(Cl)nn12
InChIKey: YZKZHTHBVCOZMF-UHFFFAOYSA-N
Molecular formula: C12H6BrClFN5O
Average molar mass: 370.56 g/mol
Monoisotopic mass: 368.94282781

Names & identifiers

Preferred name: 8-Bromo-6-chloro-N-(3-fluoropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
IUPAC: 8-bromo-6-chloro-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

Names & synonyms

1177415-98-38-Bromo-6-chloro-N-(3-fluoropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide8-Bromo-6-chloro-N-(3-fluoropyridin-4-yl)-imidazo[1,2-b]pyridazine-3-carboxamideSCHEMBL3721115DTXSID20732518YZKZHTHBVCOZMF-UHFFFAOYSA-NDB-342086

Database identifiers

CAS: 1177415-98-3
PubChem CID: 59624495
DTXSID: DTXSID20732518

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 72.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 406

Related reactions

33 records

New reaction record

HRID 119821As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 138563As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 152547As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 178060As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 214907As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 672518As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 685526As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 804958As reactantTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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