imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C15H18N4O2 — CID 171945580

IUPACimidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)c1cnc3cccnn13)C2
InChIInChI=1S/C15H18N4O2/c1-18-11-5-10(6-12(18)9-21-8-11)15(20)13-7-16-14-3-2-4-17-19(13)14/h2-4,7,10-12H,5-6,8-9H2,1H3
InChIKeySPIBQPHYRYWFHU-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.02
Rot. Bonds2

About imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171945580) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171945580
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Nameimidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)c1cnc3cccnn13)C2
InChIInChI=1S/C15H18N4O2/c1-18-11-5-10(6-12(18)9-21-8-11)15(20)13-7-16-14-3-2-4-17-19(13)14/h2-4,7,10-12H,5-6,8-9H2,1H3
InChIKeySPIBQPHYRYWFHU-UHFFFAOYSA-N
XLogP1.02
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-{[rel-(2R,6S)-2-butyl-6-isopropyl-4-morpholinyl]carbonyl}imidazo[1,2-b]pyridazine
CID 155502211
rel-(6S,7R)-8-(imidazo[1,2-b]pyridazin-3-ylcarbonyl)-2-(2-methoxyethyl)-7-methyl-2,8-diazaspiro[5.5]undecan-1-one
CID 156587013
(2-Methylpyrazolo[1,5-a]pyrimidin-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171941725
(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171941726
(9-Benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171941727
Tert-butyl 7-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171941729
Imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945530
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-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171945566
9-Azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-b]pyridazin-3-yl)methanone
CID 171945570
Imidazo[1,2-b]pyridazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945571
Tert-butyl 3-(imidazo[1,2-b]pyridazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945573

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171945580) is imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is CN1C2COCC1CC(C(=O)c1cnc3cccnn13)C2.
What is the InChIKey of imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is SPIBQPHYRYWFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-11-5-10(6-12(18)9-21-8-11)15(20)13-7-16-14-3-2-4-17-19(13)14/h2-4,7,10-12H,5-6,8-9H2,1H3.
What are the key properties of imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-b]pyridazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171945580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).