7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane

C12H13BrN4O — CID 169237104

IUPAC7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane
SMILESBrc1cnc2ccc(N3CCOC4(CC4)C3)nn12
InChIInChI=1S/C12H13BrN4O/c13-9-7-14-10-1-2-11(15-17(9)10)16-5-6-18-12(8-16)3-4-12/h1-2,7H,3-6,8H2
InChIKeyZGSOYNBATLATTL-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.86
Rot. Bonds1

About 7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane

7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane (PubChem CID 169237104) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane
PubChem CID169237104
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane
SMILESBrc1cnc2ccc(N3CCOC4(CC4)C3)nn12
InChIInChI=1S/C12H13BrN4O/c13-9-7-14-10-1-2-11(15-17(9)10)16-5-6-18-12(8-16)3-4-12/h1-2,7H,3-6,8H2
InChIKeyZGSOYNBATLATTL-UHFFFAOYSA-N
XLogP1.86
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133421191
(2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine
CID 169237077
4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine
CID 169237155
3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine
CID 169237116
8-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-5-oxa-8-azaspiro[3.5]nonane
CID 138996341
3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine
CID 169237106
4-[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133378221
4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382286
6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine
CID 170838753
6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine
CID 170838751
4-(5-bromo-2-pyridinyl)-2,2-dimethylmorpholine
CID 61375097
7-(5-bromopyrimidin-2-yl)-1-oxa-7-azaspiro[3.4]octane
CID 138050031

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane?
The IUPAC name of 7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane (CID 169237104) is 7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane.
What is the SMILES notation for 7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane?
The canonical SMILES for 7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane is Brc1cnc2ccc(N3CCOC4(CC4)C3)nn12.
What is the InChIKey of 7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane?
The InChIKey is ZGSOYNBATLATTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c13-9-7-14-10-1-2-11(15-17(9)10)16-5-6-18-12(8-16)3-4-12/h1-2,7H,3-6,8H2.
What are the key properties of 7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane?
7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane has a molecular weight of 309.17 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane is sourced from PubChem (CID 169237104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).