imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C14H16N4O2 — CID 171945529

IUPACimidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESO=C(c1cnc2ncccn12)C1CC2COCC(C1)N2
InChIInChI=1S/C14H16N4O2/c19-13(9-4-10-7-20-8-11(5-9)17-10)12-6-16-14-15-2-1-3-18(12)14/h1-3,6,9-11,17H,4-5,7-8H2
InChIKeyMFHSQYIGFIJOAQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.68
Rot. Bonds2

About imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171945529) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171945529
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Nameimidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESO=C(c1cnc2ncccn12)C1CC2COCC(C1)N2
InChIInChI=1S/C14H16N4O2/c19-13(9-4-10-7-20-8-11(5-9)17-10)12-6-16-14-15-2-1-3-18(12)14/h1-3,6,9-11,17H,4-5,7-8H2
InChIKeyMFHSQYIGFIJOAQ-UHFFFAOYSA-N
XLogP0.68
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone with MolForge

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Related Compounds

N-[(3S,3aS,7aS)-1-(3-pyrimidin-5-ylpropanoyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
CID 129553742
8-Azabicyclo[3.2.1]octan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone
CID 171945510
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
Imidazo[1,2-a]pyrimidin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945530
(9-Benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
CID 171945531
Tert-butyl 7-(imidazo[1,2-a]pyrimidine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945533
Imidazo[1,2-a]pyrazin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945554
Imidazo[1,2-a]pyrazin-3-yl-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945555
Imidazo[1,2-b]pyridazin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945579
Imidazo[1,2-a]pyridin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171945779
(2-Imidazol-1-ylpyrimidin-5-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171948778

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171945529) is imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is O=C(c1cnc2ncccn12)C1CC2COCC(C1)N2.
What is the InChIKey of imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is MFHSQYIGFIJOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13(9-4-10-7-20-8-11(5-9)17-10)12-6-16-14-15-2-1-3-18(12)14/h1-3,6,9-11,17H,4-5,7-8H2.
What are the key properties of imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-3-yl(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171945529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).