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

C16H18N2OS — CID 171945776

IUPACimidazo[1,2-a]pyridin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cnc2ccccn12)C1CC2CCCC(C1)S2
InChIInChI=1S/C16H18N2OS/c19-16(11-8-12-4-3-5-13(9-11)20-12)14-10-17-15-6-1-2-7-18(14)15/h1-2,6-7,10-13H,3-5,8-9H2
InChIKeyWEAYQVWEIYZINZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.58
Rot. Bonds2

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

imidazo[1,2-a]pyridin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171945776) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171945776
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Nameimidazo[1,2-a]pyridin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cnc2ccccn12)C1CC2CCCC(C1)S2
InChIInChI=1S/C16H18N2OS/c19-16(11-8-12-4-3-5-13(9-11)20-12)14-10-17-15-6-1-2-7-18(14)15/h1-2,6-7,10-13H,3-5,8-9H2
InChIKeyWEAYQVWEIYZINZ-UHFFFAOYSA-N
XLogP3.58
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.58
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-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of imidazo[1,2-a]pyridin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone (CID 171945776) is imidazo[1,2-a]pyridin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for imidazo[1,2-a]pyridin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for imidazo[1,2-a]pyridin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone is O=C(c1cnc2ccccn12)C1CC2CCCC(C1)S2.
What is the InChIKey of imidazo[1,2-a]pyridin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is WEAYQVWEIYZINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-16(11-8-12-4-3-5-13(9-11)20-12)14-10-17-15-6-1-2-7-18(14)15/h1-2,6-7,10-13H,3-5,8-9H2.
What are the key properties of imidazo[1,2-a]pyridin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone?
imidazo[1,2-a]pyridin-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 286.40 g/mol, XLogP of 3.58, 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-3-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171945776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).