6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine

C16H22BrN3O — CID 79952946

IUPAC6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine
SMILESCC1CCC(C(C)C)C(Oc2nc(Br)cn3ccnc23)C1
InChIInChI=1S/C16H22BrN3O/c1-10(2)12-5-4-11(3)8-13(12)21-16-15-18-6-7-20(15)9-14(17)19-16/h6-7,9-13H,4-5,8H2,1-3H3
InChIKeyGTYQSFBMVVNKKU-UHFFFAOYSA-N
MW352.28 g/mol
LogP4.33
Rot. Bonds3

About 6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine

6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine (PubChem CID 79952946) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine
PubChem CID79952946
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine
SMILESCC1CCC(C(C)C)C(Oc2nc(Br)cn3ccnc23)C1
InChIInChI=1S/C16H22BrN3O/c1-10(2)12-5-4-11(3)8-13(12)21-16-15-18-6-7-20(15)9-14(17)19-16/h6-7,9-13H,4-5,8H2,1-3H3
InChIKeyGTYQSFBMVVNKKU-UHFFFAOYSA-N
XLogP4.33
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Bromo-8-cyclohexyloxyimidazo[1,2-a]pyrazine
CID 79955115
6-Bromo-8-octan-2-yloxyimidazo[1,2-a]pyrazine
CID 79955208
6-Bromo-8-(3,5-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine
CID 79955216
6-Bromo-8-heptoxyimidazo[1,2-a]pyrazine
CID 79955294
6-Bromo-8-(3,4-dimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine
CID 79955302
6-Bromo-8-(3,3,5-trimethylcyclohexyl)oxyimidazo[1,2-a]pyrazine
CID 79955483
6-Bromo-8-(2-ethylhexoxy)imidazo[1,2-a]pyrazine
CID 79955575
6-Bromo-8-(4-methylcyclohexyl)oxyimidazo[1,2-a]pyrazine
CID 79955663
6-Bromo-8-(4-methylpentoxy)imidazo[1,2-a]pyrazine
CID 79955664
6-Bromo-8-(2-ethylcyclohexyl)oxyimidazo[1,2-a]pyrazine
CID 79955751
6-Bromo-8-hexoxyimidazo[1,2-a]pyrazine
CID 79955752
6-Bromo-8-(2-methylcyclohexyl)oxyimidazo[1,2-a]pyrazine
CID 79955842

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine (CID 79952946) is 6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine is CC1CCC(C(C)C)C(Oc2nc(Br)cn3ccnc23)C1.
What is the InChIKey of 6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine?
The InChIKey is GTYQSFBMVVNKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-10(2)12-5-4-11(3)8-13(12)21-16-15-18-6-7-20(15)9-14(17)19-16/h6-7,9-13H,4-5,8H2,1-3H3.
What are the key properties of 6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine?
6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine has a molecular weight of 352.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(5-methyl-2-propan-2-ylcyclohexyl)oxyimidazo[1,2-a]pyrazine is sourced from PubChem (CID 79952946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).