imidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone

C16H18N2O2S — CID 171945752

IUPACimidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cccc2nccn12)C1CC2CCCC(C1)S2=O
InChIInChI=1S/C16H18N2O2S/c19-16(14-5-2-6-15-17-7-8-18(14)15)11-9-12-3-1-4-13(10-11)21(12)20/h2,5-8,11-13H,1,3-4,9-10H2
InChIKeyXOIUNIDFZILYSZ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.60
Rot. Bonds2

About imidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone

imidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171945752) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171945752
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Nameimidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cccc2nccn12)C1CC2CCCC(C1)S2=O
InChIInChI=1S/C16H18N2O2S/c19-16(14-5-2-6-15-17-7-8-18(14)15)11-9-12-3-1-4-13(10-11)21(12)20/h2,5-8,11-13H,1,3-4,9-10H2
InChIKeyXOIUNIDFZILYSZ-UHFFFAOYSA-N
XLogP2.60
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of imidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone (CID 171945752) is imidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for imidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for imidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone is O=C(c1cccc2nccn12)C1CC2CCCC(C1)S2=O.
What is the InChIKey of imidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is XOIUNIDFZILYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-16(14-5-2-6-15-17-7-8-18(14)15)11-9-12-3-1-4-13(10-11)21(12)20/h2,5-8,11-13H,1,3-4,9-10H2.
What are the key properties of imidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
imidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-5-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171945752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).