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

HCID 59624781

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1177416-21-5
Standard SMILES: O=C(Nc1ccnc(Cl)c1)c1cnc2c(Cl)cc(Cl)nn12
InChIKey: DSDBTJLBWBNNNK-UHFFFAOYSA-N
Molecular formula: C12H6Cl3N5O
Average molar mass: 342.6 g/mol
Monoisotopic mass: 340.963793

Names & identifiers

Preferred name: 6,8-Dichloro-N-(2-chloropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
IUPAC: 6,8-dichloro-N-(2-chloro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

Names & synonyms

1177416-21-56,8-Dichloro-N-(2-chloropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide6,8-Dichloro-N-(2-chloropyridin-4-yl)imidazo-[1,2-b]pyridazine-3-carboxamideSCHEMBL3668652DTXSID70732523DSDBTJLBWBNNNK-UHFFFAOYSA-NDB-333320

Database identifiers

CAS: 1177416-21-5
PubChem CID: 59624781
DTXSID: DTXSID70732523

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 72.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 401

Related reactions

4 records

New reaction record

HRID 113121As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 1539939As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1943432As reactantuspto-grants-2013_03

HRID 1943433As reactantuspto-grants-2013_03

Compound notes

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