6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine

C12H14BrN3O3S — CID 129053989

IUPAC6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine
SMILESCO[C@H]1CCN(S(=O)(=O)c2cnc3ccc(Br)cn23)C1
InChIInChI=1S/C12H14BrN3O3S/c1-19-10-4-5-15(8-10)20(17,18)12-6-14-11-3-2-9(13)7-16(11)12/h2-3,6-7,10H,4-5,8H2,1H3/t10-/m0/s1
InChIKeyDWULBLIUROAWMW-JTQLQIEISA-N
MW360.23 g/mol
LogP1.51
Rot. Bonds3

About 6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine

6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine (PubChem CID 129053989) has the molecular formula C12H14BrN3O3S and a molecular weight of 360.23 g/mol. Its IUPAC name is 6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine
PubChem CID129053989
Molecular FormulaC12H14BrN3O3S
Molecular Weight360.23 g/mol
Exact Mass358.99
IUPAC Name6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine
SMILESCO[C@H]1CCN(S(=O)(=O)c2cnc3ccc(Br)cn23)C1
InChIInChI=1S/C12H14BrN3O3S/c1-19-10-4-5-15(8-10)20(17,18)12-6-14-11-3-2-9(13)7-16(11)12/h2-3,6-7,10H,4-5,8H2,1H3/t10-/m0/s1
InChIKeyDWULBLIUROAWMW-JTQLQIEISA-N
XLogP1.51
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine (CID 129053989) is 6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine is CO[C@H]1CCN(S(=O)(=O)c2cnc3ccc(Br)cn23)C1.
What is the InChIKey of 6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine?
The InChIKey is DWULBLIUROAWMW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14BrN3O3S/c1-19-10-4-5-15(8-10)20(17,18)12-6-14-11-3-2-9(13)7-16(11)12/h2-3,6-7,10H,4-5,8H2,1H3/t10-/m0/s1.
What are the key properties of 6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine?
6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine has a molecular weight of 360.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine is sourced from PubChem (CID 129053989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).