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

C16H20N4O — CID 171945571

IUPACimidazo[1,2-b]pyridazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCN1C2CCCC1CC(C(=O)c1cnc3cccnn13)C2
InChIInChI=1S/C16H20N4O/c1-19-12-4-2-5-13(19)9-11(8-12)16(21)14-10-17-15-6-3-7-18-20(14)15/h3,6-7,10-13H,2,4-5,8-9H2,1H3
InChIKeySQUYEBDFXZUDNU-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.17
Rot. Bonds2

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

imidazo[1,2-b]pyridazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171945571) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is imidazo[1,2-b]pyridazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-b]pyridazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171945571
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Nameimidazo[1,2-b]pyridazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCN1C2CCCC1CC(C(=O)c1cnc3cccnn13)C2
InChIInChI=1S/C16H20N4O/c1-19-12-4-2-5-13(19)9-11(8-12)16(21)14-10-17-15-6-3-7-18-20(14)15/h3,6-7,10-13H,2,4-5,8-9H2,1H3
InChIKeySQUYEBDFXZUDNU-UHFFFAOYSA-N
XLogP2.17
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze imidazo[1,2-b]pyridazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone with MolForge

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Related Compounds

1-[6-[(2R)-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]ethanone
CID 144344739
2-Methyl-1-[3-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]butan-1-one;pentane
CID 145013042
(1R,5R,11aS)-3-(imidazo[1,2-b]pyridazin-3-ylcarbonyl)decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
CID 56878014
(1R,2S,9S)-11-(imidazo[1,2-b]pyridazine-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 131841846
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
1-[6-(4-Methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-3-ylethanone
CID 135201832
1-[6-(4-Methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridin-2-ylethanone
CID 135201833
1-[6-[4-(1-Aminocyclopentanecarbonyl)piperazin-1-yl]imidazo[1,2-b]pyridazin-3-yl]ethanone
CID 141633561
[4-(2-Ethylphenyl)cyclohexyl]-imidazo[1,2-b]pyridazin-2-ylmethanone
CID 144718899
1-Imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one
CID 171409936
1-(Imidazo[1,2-b]pyridazin-3-ylcarbonyl)-4,4'-bipiperidine dihydrochloride
CID 146045614

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-b]pyridazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of imidazo[1,2-b]pyridazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (CID 171945571) is imidazo[1,2-b]pyridazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for imidazo[1,2-b]pyridazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for imidazo[1,2-b]pyridazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is CN1C2CCCC1CC(C(=O)c1cnc3cccnn13)C2.
What is the InChIKey of imidazo[1,2-b]pyridazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is SQUYEBDFXZUDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-12-4-2-5-13(19)9-11(8-12)16(21)14-10-17-15-6-3-7-18-20(14)15/h3,6-7,10-13H,2,4-5,8-9H2,1H3.
What are the key properties of imidazo[1,2-b]pyridazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
imidazo[1,2-b]pyridazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.17, 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-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171945571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).