6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine

C11H11F2IN4 — CID 170838751

IUPAC6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine
SMILESFC1(F)CCCN(c2ccc3ncc(I)n3n2)C1
InChIInChI=1S/C11H11F2IN4/c12-11(13)4-1-5-17(7-11)10-3-2-9-15-6-8(14)18(9)16-10/h2-3,6H,1,4-5,7H2
InChIKeyOCFJSTBSKIGNAB-UHFFFAOYSA-N
MW364.14 g/mol
LogP2.57
Rot. Bonds1

About 6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine

6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine (PubChem CID 170838751) has the molecular formula C11H11F2IN4 and a molecular weight of 364.14 g/mol. Its IUPAC name is 6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine
PubChem CID170838751
Molecular FormulaC11H11F2IN4
Molecular Weight364.14 g/mol
Exact Mass364.00
IUPAC Name6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine
SMILESFC1(F)CCCN(c2ccc3ncc(I)n3n2)C1
InChIInChI=1S/C11H11F2IN4/c12-11(13)4-1-5-17(7-11)10-3-2-9-15-6-8(14)18(9)16-10/h2-3,6H,1,4-5,7H2
InChIKeyOCFJSTBSKIGNAB-UHFFFAOYSA-N
XLogP2.57
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(3,3-difluoropyrrolidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine
CID 170838753
6-(3,3-difluoropiperidin-1-yl)-N-methylpyridin-3-amine;ethane
CID 177223368
6-(5-azaspiro[2.5]octan-5-yl)-3-nitroimidazo[1,2-b]pyridazine
CID 133480952
1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid
CID 175313249
7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane
CID 169237104
N-methyl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-amine
CID 146669273
6-(5-azaspiro[2.5]octan-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133480874
N-methyl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 146415960
4-(3-nitroimidazo[1,2-b]pyridazin-6-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133421191
4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine
CID 169237155
6-(dimethylamino)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridine-3-carboxamide
CID 146669270
5-(3,3-difluoropyrrolidin-1-yl)-2-iodo-1H-imidazo[4,5-b]pyridine
CID 162583240

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine?
The IUPAC name of 6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine (CID 170838751) is 6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine is FC1(F)CCCN(c2ccc3ncc(I)n3n2)C1.
What is the InChIKey of 6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine?
The InChIKey is OCFJSTBSKIGNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2IN4/c12-11(13)4-1-5-17(7-11)10-3-2-9-15-6-8(14)18(9)16-10/h2-3,6H,1,4-5,7H2.
What are the key properties of 6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine?
6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine has a molecular weight of 364.14 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropiperidin-1-yl)-3-iodoimidazo[1,2-b]pyridazine is sourced from PubChem (CID 170838751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).