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

C14H15N3O2 — CID 171945566

IUPACimidazo[1,2-b]pyridazin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cnc2cccnn12)C1CC2CCC(C1)O2
InChIInChI=1S/C14H15N3O2/c18-14(9-6-10-3-4-11(7-9)19-10)12-8-15-13-2-1-5-16-17(12)13/h1-2,5,8-11H,3-4,6-7H2
InChIKeyJNCHRHRTAKCESO-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.87
Rot. Bonds2

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

imidazo[1,2-b]pyridazin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171945566) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is imidazo[1,2-b]pyridazin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-b]pyridazin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171945566
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Nameimidazo[1,2-b]pyridazin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESO=C(c1cnc2cccnn12)C1CC2CCC(C1)O2
InChIInChI=1S/C14H15N3O2/c18-14(9-6-10-3-4-11(7-9)19-10)12-8-15-13-2-1-5-16-17(12)13/h1-2,5,8-11H,3-4,6-7H2
InChIKeyJNCHRHRTAKCESO-UHFFFAOYSA-N
XLogP1.87
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171941712
Imidazo[1,2-a]pyrimidin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171945516
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-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
Imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945580
Imidazo[1,2-a]pyridin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171945766

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-b]pyridazin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of imidazo[1,2-b]pyridazin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171945566) is imidazo[1,2-b]pyridazin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for imidazo[1,2-b]pyridazin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for imidazo[1,2-b]pyridazin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone is O=C(c1cnc2cccnn12)C1CC2CCC(C1)O2.
What is the InChIKey of imidazo[1,2-b]pyridazin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is JNCHRHRTAKCESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(9-6-10-3-4-11(7-9)19-10)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-oxabicyclo[3.2.1]octan-3-yl)methanone?
imidazo[1,2-b]pyridazin-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 257.29 g/mol, XLogP of 1.87, 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-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171945566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).