9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone

C15H18N4O — CID 171945545

IUPAC9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone
SMILESO=C(c1cnc2cnccn12)C1CC2CCCC(C1)N2
InChIInChI=1S/C15H18N4O/c20-15(10-6-11-2-1-3-12(7-10)18-11)13-8-17-14-9-16-4-5-19(13)14/h4-5,8-12,18H,1-3,6-7H2
InChIKeyIJTLYBNGRAADHI-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.83
Rot. Bonds2

About 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone

9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone (PubChem CID 171945545) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone.

Molecular Properties

Compound Name9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone
PubChem CID171945545
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone
SMILESO=C(c1cnc2cnccn12)C1CC2CCCC(C1)N2
InChIInChI=1S/C15H18N4O/c20-15(10-6-11-2-1-3-12(7-10)18-11)13-8-17-14-9-16-4-5-19(13)14/h4-5,8-12,18H,1-3,6-7H2
InChIKeyIJTLYBNGRAADHI-UHFFFAOYSA-N
XLogP1.83
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-1-(8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl)propan-1-one
CID 90761637
1-Imidazo[1,2-a]pyrazin-2-yl-4-piperazin-1-ylbutane-1,4-dione
CID 91345940
2-Butyl-1-imidazo[1,2-a]pyrazin-3-ylhexan-1-one
CID 154612471
1-Imidazo[1,2-a]pyrazin-2-yl-2-propylhexan-1-one
CID 169687779
9-Azabicyclo[3.3.1]nonan-3-yl-(3-methylimidazol-4-yl)methanone
CID 171937512
(9-Methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(3-methylimidazol-4-yl)methanone
CID 171937513
9-Azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone
CID 171945520
Imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945521
8-Azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone
CID 171945535
Imidazo[1,2-a]pyrazin-3-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171945536
Imidazo[1,2-a]pyrazin-3-yl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945546
Tert-butyl 3-(imidazo[1,2-a]pyrazine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945548

Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone?
The IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone (CID 171945545) is 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone.
What is the SMILES notation for 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone?
The canonical SMILES for 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone is O=C(c1cnc2cnccn12)C1CC2CCCC(C1)N2.
What is the InChIKey of 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone?
The InChIKey is IJTLYBNGRAADHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(10-6-11-2-1-3-12(7-10)18-11)13-8-17-14-9-16-4-5-19(13)14/h4-5,8-12,18H,1-3,6-7H2.
What are the key properties of 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone?
9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone has a molecular weight of 270.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrazin-3-yl)methanone is sourced from PubChem (CID 171945545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).