3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one

C29H28BrClN12O3 — CID 157139212

IUPAC3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one
SMILESCOc1nccn2c(Br)cnc12.COc1nccn2c(C)cnc12.Cc1cnc2c(=O)[nH]ccn12.Cc1cnc2c(Cl)nccn12
InChIInChI=1S/C8H9N3O.C7H6BrN3O.C7H6ClN3.C7H7N3O/c1-6-5-10-7-8(12-2)9-3-4-11(6)7;1-12-7-6-10-4-5(8)11(6)3-2-9-7;1-5-4-10-7-6(8)9-2-3-11(5)7;1-5-4-9-6-7(11)8-2-3-10(5)6/h3-5H,1-2H3;2-4H,1H3;2-4H,1H3;2-4H,1H3,(H,8,11)
InChIKeyAJZLHFAGEYZSQO-UHFFFAOYSA-N
MW707.98 g/mol
LogP4.57
Rot. Bonds2

About 3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one

3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one (PubChem CID 157139212) has the molecular formula C29H28BrClN12O3 and a molecular weight of 707.98 g/mol. Its IUPAC name is 3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one
PubChem CID157139212
Molecular FormulaC29H28BrClN12O3
Molecular Weight707.98 g/mol
Exact Mass706.13
IUPAC Name3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one
SMILESCOc1nccn2c(Br)cnc12.COc1nccn2c(C)cnc12.Cc1cnc2c(=O)[nH]ccn12.Cc1cnc2c(Cl)nccn12
InChIInChI=1S/C8H9N3O.C7H6BrN3O.C7H6ClN3.C7H7N3O/c1-6-5-10-7-8(12-2)9-3-4-11(6)7;1-12-7-6-10-4-5(8)11(6)3-2-9-7;1-5-4-10-7-6(8)9-2-3-11(5)7;1-5-4-9-6-7(11)8-2-3-10(5)6/h3-5H,1-2H3;2-4H,1H3;2-4H,1H3;2-4H,1H3,(H,8,11)
InChIKeyAJZLHFAGEYZSQO-UHFFFAOYSA-N
XLogP4.57
TPSA159.19 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.98
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one with MolForge

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Related Compounds

3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-cyclopropylimidazo[1,2-a]pyrazine;3-cyclopropyl-7H-imidazo[1,2-a]pyrazin-8-one;3-cyclopropyl-8-methoxyimidazo[1,2-a]pyrazine
CID 159497987
6-bromo-8-methoxy-2-methylimidazo[1,2-a]pyrazine;5-bromo-3-methoxypyrazin-2-amine;8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-amine;N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)acetamide
CID 168415723

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one (CID 157139212) is 3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one is COc1nccn2c(Br)cnc12.COc1nccn2c(C)cnc12.Cc1cnc2c(=O)[nH]ccn12.Cc1cnc2c(Cl)nccn12.
What is the InChIKey of 3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one?
The InChIKey is AJZLHFAGEYZSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O.C7H6BrN3O.C7H6ClN3.C7H7N3O/c1-6-5-10-7-8(12-2)9-3-4-11(6)7;1-12-7-6-10-4-5(8)11(6)3-2-9-7;1-5-4-10-7-6(8)9-2-3-11(5)7;1-5-4-9-6-7(11)8-2-3-10(5)6/h3-5H,1-2H3;2-4H,1H3;2-4H,1H3;2-4H,1H3,(H,8,11).
What are the key properties of 3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one?
3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one has a molecular weight of 707.98 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-methoxyimidazo[1,2-a]pyrazine;8-chloro-3-methylimidazo[1,2-a]pyrazine;8-methoxy-3-methylimidazo[1,2-a]pyrazine;3-methyl-7H-imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 157139212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).