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

C15H18N4O — CID 171945520

IUPAC9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone
SMILESO=C(c1cnc2ncccn12)C1CC2CCCC(C1)N2
InChIInChI=1S/C15H18N4O/c20-14(10-7-11-3-1-4-12(8-10)18-11)13-9-17-15-16-5-2-6-19(13)15/h2,5-6,9-12,18H,1,3-4,7-8H2
InChIKeyPUKUETOSNJOAMZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.83
Rot. Bonds2

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

9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone (PubChem CID 171945520) 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]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone
PubChem CID171945520
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone
SMILESO=C(c1cnc2ncccn12)C1CC2CCCC(C1)N2
InChIInChI=1S/C15H18N4O/c20-14(10-7-11-3-1-4-12(8-10)18-11)13-9-17-15-16-5-2-6-19(13)15/h2,5-6,9-12,18H,1,3-4,7-8H2
InChIKeyPUKUETOSNJOAMZ-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

Analyze 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
CID 171945528
imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945526
9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyridin-3-yl)methanone
CID 171945770
imidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171945517
9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone
CID 171937463
3-imidazo[1,2-a]pyrimidin-3-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171959694
3-[2-(cyclobutylmethyl)pyrazol-3-yl]-1-imidazo[1,2-a]pyrimidin-3-ylprop-2-en-1-one
CID 136562437
imidazo[1,2-a]pyridin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945776
N-cyclohexyl-N-ethyl-4-(imidazo[1,2-a]pyrimidine-3-carbonyl)benzamide
CID 46847214
9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone
CID 171946068
2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one
CID 166942027
(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-imidazo[1,2-a]pyrazin-3-ylmethanone
CID 171945553

Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone?
The IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone (CID 171945520) is 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone?
The canonical SMILES for 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone is O=C(c1cnc2ncccn12)C1CC2CCCC(C1)N2.
What is the InChIKey of 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone?
The InChIKey is PUKUETOSNJOAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-14(10-7-11-3-1-4-12(8-10)18-11)13-9-17-15-16-5-2-6-19(13)15/h2,5-6,9-12,18H,1,3-4,7-8H2.
What are the key properties of 9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone?
9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-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]pyrimidin-3-yl)methanone is sourced from PubChem (CID 171945520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).