3-(3-Bromo-thieno[2,3-b]pyridin-2-yl)-8-(1-ethyl-propyl)-2,6-dimethyl-imidazo[1,2-b]pyridazine

HCID 68856472
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Basic information

Standard SMILES
CCC(CC)c1cc(C)nn2c(-c3sc4ncccc4c3Br)c(C)nc12
InChIKey
VTMAIDYQEJMUGO-UHFFFAOYSA-N
Molecular formula
C20H21BrN4S
Average molar mass
429.4 g/mol

Names & identifiers

Preferred name
3-(3-Bromo-thieno[2,3-b]pyridin-2-yl)-8-(1-ethyl-propyl)-2,6-dimethyl-imidazo[1,2-b]pyridazine
IUPAC
3-bromo-2-(2,6-dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-b]pyridine

Names & synonyms

SCHEMBL3962844VTMAIDYQEJMUGO-UHFFFAOYSA-N3-(3-bromo-thieno[2,3-b]pyridin-2-yl)-8-(1-ethyl-propyl)-2,6-dimethyl-imidazo[1,2-b]pyridazine

Database identifiers

PubChem CID
68856472

Properties

Computed structural properties

XLogP
6
Topological polar surface area
71.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

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