3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one

C13H18BrN5O2 — CID 158680137

IUPAC3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)(Cc1cnc2[nH]c(=O)n(Br)c2n1)N1CCOCC1
InChIInChI=1S/C13H18BrN5O2/c1-13(2,18-3-5-21-6-4-18)7-9-8-15-10-11(16-9)19(14)12(20)17-10/h8H,3-7H2,1-2H3,(H,15,17,20)
InChIKeyIFABRBOBKXSJSL-UHFFFAOYSA-N
MW356.22 g/mol
LogP0.93
Rot. Bonds3

About 3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one

3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 158680137) has the molecular formula C13H18BrN5O2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID158680137
Molecular FormulaC13H18BrN5O2
Molecular Weight356.22 g/mol
Exact Mass355.06
IUPAC Name3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)(Cc1cnc2[nH]c(=O)n(Br)c2n1)N1CCOCC1
InChIInChI=1S/C13H18BrN5O2/c1-13(2,18-3-5-21-6-4-18)7-9-8-15-10-11(16-9)19(14)12(20)17-10/h8H,3-7H2,1-2H3,(H,15,17,20)
InChIKeyIFABRBOBKXSJSL-UHFFFAOYSA-N
XLogP0.93
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 158680137) is 3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one is CC(C)(Cc1cnc2[nH]c(=O)n(Br)c2n1)N1CCOCC1.
What is the InChIKey of 3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is IFABRBOBKXSJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O2/c1-13(2,18-3-5-21-6-4-18)7-9-8-15-10-11(16-9)19(14)12(20)17-10/h8H,3-7H2,1-2H3,(H,15,17,20).
What are the key properties of 3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 356.22 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-methyl-2-morpholin-4-ylpropyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 158680137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).