imidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone

C15H17N3O2S — CID 171945527

IUPACimidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cnc2ncccn12)C1CC2CCCC(C1)S2=O
InChIInChI=1S/C15H17N3O2S/c19-14(13-9-17-15-16-5-2-6-18(13)15)10-7-11-3-1-4-12(8-10)21(11)20/h2,5-6,9-12H,1,3-4,7-8H2
InChIKeyPODZBQDWMSPMTC-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.99
Rot. Bonds2

About imidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone

imidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171945527) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is imidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171945527
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Nameimidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cnc2ncccn12)C1CC2CCCC(C1)S2=O
InChIInChI=1S/C15H17N3O2S/c19-14(13-9-17-15-16-5-2-6-18(13)15)10-7-11-3-1-4-12(8-10)21(11)20/h2,5-6,9-12H,1,3-4,7-8H2
InChIKeyPODZBQDWMSPMTC-UHFFFAOYSA-N
XLogP1.99
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Butyl-1-imidazo[1,2-a]pyrimidin-3-ylhexan-1-one
CID 154612485
Imidazo[1,2-a]pyrimidin-3-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171945517
Imidazo[1,2-a]pyrimidin-3-yl-(8-oxo-8lambda4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171945518
(8,8-Dioxo-8lambda6-thiabicyclo[3.2.1]octan-3-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
CID 171945519
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
Tert-butyl 3-(imidazo[1,2-a]pyrimidine-3-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171945523
Imidazo[1,2-a]pyrimidin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945526
(9,9-Dioxo-9lambda6-thiabicyclo[3.3.1]nonan-3-yl)-imidazo[1,2-a]pyrimidin-3-ylmethanone
CID 171945528
Imidazo[1,2-a]pyrazin-3-yl-(8-oxo-8lambda4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171945543
Imidazo[1,2-a]pyrazin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945551
Imidazo[1,2-a]pyrazin-3-yl-(9-oxo-9lambda4-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945552

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of imidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone (CID 171945527) is imidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for imidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for imidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone is O=C(c1cnc2ncccn12)C1CC2CCCC(C1)S2=O.
What is the InChIKey of imidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is PODZBQDWMSPMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-14(13-9-17-15-16-5-2-6-18(13)15)10-7-11-3-1-4-12(8-10)21(11)20/h2,5-6,9-12H,1,3-4,7-8H2.
What are the key properties of imidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
imidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 303.39 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyrimidin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171945527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).