imidazo[1,2-b]pyridazin-3-yl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone

C14H15N3O2S — CID 171945568

IUPACimidazo[1,2-b]pyridazin-3-yl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cnc2cccnn12)C1CC2CCC(C1)S2=O
InChIInChI=1S/C14H15N3O2S/c18-14(9-6-10-3-4-11(7-9)20(10)19)12-8-15-13-2-1-5-16-17(12)13/h1-2,5,8-11H,3-4,6-7H2
InChIKeyRSXXGYDKDRLCBN-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.60
Rot. Bonds2

About imidazo[1,2-b]pyridazin-3-yl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone

imidazo[1,2-b]pyridazin-3-yl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171945568) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is imidazo[1,2-b]pyridazin-3-yl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-b]pyridazin-3-yl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171945568
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Nameimidazo[1,2-b]pyridazin-3-yl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cnc2cccnn12)C1CC2CCC(C1)S2=O
InChIInChI=1S/C14H15N3O2S/c18-14(9-6-10-3-4-11(7-9)20(10)19)12-8-15-13-2-1-5-16-17(12)13/h1-2,5,8-11H,3-4,6-7H2
InChIKeyRSXXGYDKDRLCBN-UHFFFAOYSA-N
XLogP1.60
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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)-(8-oxo-8lambda4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171941714
(8,8-Dioxo-8lambda6-thiabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171941715
Imidazo[1,2-a]pyrimidin-3-yl-(8-oxo-8lambda4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171945518
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
Tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171945562
Imidazo[1,2-b]pyridazin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171945566
Imidazo[1,2-b]pyridazin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171945567
(8,8-Dioxo-8lambda6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-b]pyridazin-3-ylmethanone
CID 171945569
Imidazo[1,2-b]pyridazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945576
Imidazo[1,2-b]pyridazin-3-yl-(9-oxo-9lambda4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945577

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-b]pyridazin-3-yl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of imidazo[1,2-b]pyridazin-3-yl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone (CID 171945568) is imidazo[1,2-b]pyridazin-3-yl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for imidazo[1,2-b]pyridazin-3-yl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for imidazo[1,2-b]pyridazin-3-yl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1cnc2cccnn12)C1CC2CCC(C1)S2=O.
What is the InChIKey of imidazo[1,2-b]pyridazin-3-yl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is RSXXGYDKDRLCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-14(9-6-10-3-4-11(7-9)20(10)19)12-8-15-13-2-1-5-16-17(12)13/h1-2,5,8-11H,3-4,6-7H2.
What are the key properties of imidazo[1,2-b]pyridazin-3-yl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone?
imidazo[1,2-b]pyridazin-3-yl-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 289.36 g/mol, XLogP of 1.60, 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-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171945568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).