(2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol

C11H13BrN4O — CID 172621612

IUPAC(2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol
SMILESCc1c(Br)nc(N2C[C@@H](O)[C@@H]2C)c2nccn12
InChIInChI=1S/C11H13BrN4O/c1-6-8(17)5-16(6)11-10-13-3-4-15(10)7(2)9(12)14-11/h3-4,6,8,17H,5H2,1-2H3/t6-,8+/m0/s1
InChIKeyOJELUEVITRKPFS-POYBYMJQSA-N
MW297.16 g/mol
LogP1.37
Rot. Bonds1

About (2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol

(2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol (PubChem CID 172621612) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is (2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol
PubChem CID172621612
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name(2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol
SMILESCc1c(Br)nc(N2C[C@@H](O)[C@@H]2C)c2nccn12
InChIInChI=1S/C11H13BrN4O/c1-6-8(17)5-16(6)11-10-13-3-4-15(10)7(2)9(12)14-11/h3-4,6,8,17H,5H2,1-2H3/t6-,8+/m0/s1
InChIKeyOJELUEVITRKPFS-POYBYMJQSA-N
XLogP1.37
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol?
The IUPAC name of (2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol (CID 172621612) is (2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol.
What is the SMILES notation for (2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol?
The canonical SMILES for (2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol is Cc1c(Br)nc(N2C[C@@H](O)[C@@H]2C)c2nccn12.
What is the InChIKey of (2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol?
The InChIKey is OJELUEVITRKPFS-POYBYMJQSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-6-8(17)5-16(6)11-10-13-3-4-15(10)7(2)9(12)14-11/h3-4,6,8,17H,5H2,1-2H3/t6-,8+/m0/s1.
What are the key properties of (2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol?
(2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol has a molecular weight of 297.16 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-(6-bromo-5-methylimidazo[1,2-a]pyrazin-8-yl)-2-methylazetidin-3-ol is sourced from PubChem (CID 172621612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).