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

C13H18BrN5O2 — CID 24815335

IUPAC5-bromo-3-[(2R)-1-morpholin-4-ylbutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC[C@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Br)nc21
InChIInChI=1S/C13H18BrN5O2/c1-2-9(8-18-3-5-21-6-4-18)19-12-11(17-13(19)20)15-7-10(14)16-12/h7,9H,2-6,8H2,1H3,(H,15,17,20)/t9-/m1/s1
InChIKeyYQOCSKOMOMCTOF-SECBINFHSA-N
MW356.22 g/mol
LogP1.17
Rot. Bonds4

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

5-bromo-3-[(2R)-1-morpholin-4-ylbutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 24815335) has the molecular formula C13H18BrN5O2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 5-bromo-3-[(2R)-1-morpholin-4-ylbutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-3-[(2R)-1-morpholin-4-ylbutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID24815335
Molecular FormulaC13H18BrN5O2
Molecular Weight356.22 g/mol
Exact Mass355.06
IUPAC Name5-bromo-3-[(2R)-1-morpholin-4-ylbutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC[C@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Br)nc21
InChIInChI=1S/C13H18BrN5O2/c1-2-9(8-18-3-5-21-6-4-18)19-12-11(17-13(19)20)15-7-10(14)16-12/h7,9H,2-6,8H2,1H3,(H,15,17,20)/t9-/m1/s1
InChIKeyYQOCSKOMOMCTOF-SECBINFHSA-N
XLogP1.17
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 51.17
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-ylbutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-bromo-3-[(2R)-1-morpholin-4-ylbutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 24815335) is 5-bromo-3-[(2R)-1-morpholin-4-ylbutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-bromo-3-[(2R)-1-morpholin-4-ylbutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-bromo-3-[(2R)-1-morpholin-4-ylbutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one is CC[C@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Br)nc21.
What is the InChIKey of 5-bromo-3-[(2R)-1-morpholin-4-ylbutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is YQOCSKOMOMCTOF-SECBINFHSA-N. The full InChI is InChI=1S/C13H18BrN5O2/c1-2-9(8-18-3-5-21-6-4-18)19-12-11(17-13(19)20)15-7-10(14)16-12/h7,9H,2-6,8H2,1H3,(H,15,17,20)/t9-/m1/s1.
What are the key properties of 5-bromo-3-[(2R)-1-morpholin-4-ylbutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one?
5-bromo-3-[(2R)-1-morpholin-4-ylbutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 356.22 g/mol, XLogP of 1.17, 4 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-ylbutan-2-yl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 24815335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).