imidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone

C15H17N3OS — CID 171945576

IUPACimidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cnc2cccnn12)C1CC2CCCC(C1)S2
InChIInChI=1S/C15H17N3OS/c19-15(10-7-11-3-1-4-12(8-10)20-11)13-9-16-14-5-2-6-17-18(13)14/h2,5-6,9-12H,1,3-4,7-8H2
InChIKeyJLEZMAUZJNNVAN-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.98
Rot. Bonds2

About imidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone

imidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171945576) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is imidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171945576
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Nameimidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cnc2cccnn12)C1CC2CCCC(C1)S2
InChIInChI=1S/C15H17N3OS/c19-15(10-7-11-3-1-4-12(8-10)20-11)13-9-16-14-5-2-6-17-18(13)14/h2,5-6,9-12H,1,3-4,7-8H2
InChIKeyJLEZMAUZJNNVAN-UHFFFAOYSA-N
XLogP2.98
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Imidazo[1,2-b]pyridazin-2-yl-2-methylpropan-1-one
CID 59326840
1-Imidazo[1,2-b]pyridazin-3-yl-2-methylpropan-1-one
CID 69097594
(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171941713
(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941722
(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(9-oxo-9lambda4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941723
(9,9-Dioxo-9lambda6-thiabicyclo[3.3.1]nonan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171941724
8-Azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone
CID 171945560
Imidazo[1,2-b]pyridazin-3-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171945561
Imidazo[1,2-b]pyridazin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171945567
Imidazo[1,2-b]pyridazin-3-yl-(8-oxo-8lambda4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171945568
(8,8-Dioxo-8lambda6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-b]pyridazin-3-ylmethanone
CID 171945569
9-Azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone
CID 171945570

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of imidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone (CID 171945576) is imidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for imidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for imidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone is O=C(c1cnc2cccnn12)C1CC2CCCC(C1)S2.
What is the InChIKey of imidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is JLEZMAUZJNNVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-15(10-7-11-3-1-4-12(8-10)20-11)13-9-16-14-5-2-6-17-18(13)14/h2,5-6,9-12H,1,3-4,7-8H2.
What are the key properties of imidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
imidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 287.39 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171945576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).