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

C15H17N3O2S — CID 171945552

IUPACimidazo[1,2-a]pyrazin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cnc2cnccn12)C1CC2CCCC(C1)S2=O
InChIInChI=1S/C15H17N3O2S/c19-15(13-8-17-14-9-16-4-5-18(13)14)10-6-11-2-1-3-12(7-10)21(11)20/h4-5,8-12H,1-3,6-7H2
InChIKeyPXPPFNLBTZASLV-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.99
Rot. Bonds2

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

imidazo[1,2-a]pyrazin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171945552) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is imidazo[1,2-a]pyrazin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Nameimidazo[1,2-a]pyrazin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171945552
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Nameimidazo[1,2-a]pyrazin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1cnc2cnccn12)C1CC2CCCC(C1)S2=O
InChIInChI=1S/C15H17N3O2S/c19-15(13-8-17-14-9-16-4-5-18(13)14)10-6-11-2-1-3-12(7-10)21(11)20/h4-5,8-12H,1-3,6-7H2
InChIKeyPXPPFNLBTZASLV-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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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyrazin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of imidazo[1,2-a]pyrazin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone (CID 171945552) is imidazo[1,2-a]pyrazin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for imidazo[1,2-a]pyrazin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for imidazo[1,2-a]pyrazin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone is O=C(c1cnc2cnccn12)C1CC2CCCC(C1)S2=O.
What is the InChIKey of imidazo[1,2-a]pyrazin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is PXPPFNLBTZASLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-15(13-8-17-14-9-16-4-5-18(13)14)10-6-11-2-1-3-12(7-10)21(11)20/h4-5,8-12H,1-3,6-7H2.
What are the key properties of imidazo[1,2-a]pyrazin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone?
imidazo[1,2-a]pyrazin-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]pyrazin-3-yl-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171945552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).