tert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate

C21H24BrN5O3 — CID 87331200

IUPACtert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CCOCC2)cc1-c1ncc(Br)n2ccnc12
InChIInChI=1S/C21H24BrN5O3/c1-21(2,3)30-20(28)25-16-5-4-14(26-8-10-29-11-9-26)12-15(16)18-19-23-6-7-27(19)17(22)13-24-18/h4-7,12-13H,8-11H2,1-3H3,(H,25,28)
InChIKeyHLLLMDDRJUABSV-UHFFFAOYSA-N
MW474.36 g/mol
LogP4.34
Rot. Bonds3

About tert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate

tert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate (PubChem CID 87331200) has the molecular formula C21H24BrN5O3 and a molecular weight of 474.36 g/mol. Its IUPAC name is tert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate
PubChem CID87331200
Molecular FormulaC21H24BrN5O3
Molecular Weight474.36 g/mol
Exact Mass473.11
IUPAC Nametert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CCOCC2)cc1-c1ncc(Br)n2ccnc12
InChIInChI=1S/C21H24BrN5O3/c1-21(2,3)30-20(28)25-16-5-4-14(26-8-10-29-11-9-26)12-15(16)18-19-23-6-7-27(19)17(22)13-24-18/h4-7,12-13H,8-11H2,1-3H3,(H,25,28)
InChIKeyHLLLMDDRJUABSV-UHFFFAOYSA-N
XLogP4.34
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate (CID 87331200) is tert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(N2CCOCC2)cc1-c1ncc(Br)n2ccnc12.
What is the InChIKey of tert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate?
The InChIKey is HLLLMDDRJUABSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN5O3/c1-21(2,3)30-20(28)25-16-5-4-14(26-8-10-29-11-9-26)12-15(16)18-19-23-6-7-27(19)17(22)13-24-18/h4-7,12-13H,8-11H2,1-3H3,(H,25,28).
What are the key properties of tert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate?
tert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate has a molecular weight of 474.36 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(5-bromoimidazo[1,2-a]pyrazin-8-yl)-4-morpholin-4-ylphenyl]carbamate is sourced from PubChem (CID 87331200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).