5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one

C12H16BrN5O2 — CID 24815411

IUPAC5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESC[C@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Br)nc21
InChIInChI=1S/C12H16BrN5O2/c1-8(7-17-2-4-20-5-3-17)18-11-10(16-12(18)19)14-6-9(13)15-11/h6,8H,2-5,7H2,1H3,(H,14,16,19)/t8-/m1/s1
InChIKeyJVUXJJNMSWDQNZ-MRVPVSSYSA-N
MW342.20 g/mol
LogP0.78
Rot. Bonds3

About 5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one

5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 24815411) has the molecular formula C12H16BrN5O2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID24815411
Molecular FormulaC12H16BrN5O2
Molecular Weight342.20 g/mol
Exact Mass341.05
IUPAC Name5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESC[C@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Br)nc21
InChIInChI=1S/C12H16BrN5O2/c1-8(7-17-2-4-20-5-3-17)18-11-10(16-12(18)19)14-6-9(13)15-11/h6,8H,2-5,7H2,1H3,(H,14,16,19)/t8-/m1/s1
InChIKeyJVUXJJNMSWDQNZ-MRVPVSSYSA-N
XLogP0.78
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 24815411) is 5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one is C[C@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Br)nc21.
What is the InChIKey of 5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is JVUXJJNMSWDQNZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16BrN5O2/c1-8(7-17-2-4-20-5-3-17)18-11-10(16-12(18)19)14-6-9(13)15-11/h6,8H,2-5,7H2,1H3,(H,14,16,19)/t8-/m1/s1.
What are the key properties of 5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 342.20 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2R)-1-morpholin-4-ylpropan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 24815411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).