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

C35H34BrClN12O3 — CID 159497987

IUPAC3-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
SMILESCOc1nccn2c(Br)cnc12.COc1nccn2c(C3CC3)cnc12.Clc1nccn2c(C3CC3)cnc12.O=c1[nH]ccn2c(C3CC3)cnc12
InChIInChI=1S/C10H11N3O.C9H8ClN3.C9H9N3O.C7H6BrN3O/c1-14-10-9-12-6-8(7-2-3-7)13(9)5-4-11-10;10-8-9-12-5-7(6-1-2-6)13(9)4-3-11-8;13-9-8-11-5-7(6-1-2-6)12(8)4-3-10-9;1-12-7-6-10-4-5(8)11(6)3-2-9-7/h4-7H,2-3H2,1H3;3-6H,1-2H2;3-6H,1-2H2,(H,10,13);2-4H,1H3
InChIKeyLZADSAQZHKUGAI-UHFFFAOYSA-N
MW786.10 g/mol
LogP6.28
Rot. Bonds5

About 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

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 (PubChem CID 159497987) has the molecular formula C35H34BrClN12O3 and a molecular weight of 786.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID159497987
Molecular FormulaC35H34BrClN12O3
Molecular Weight786.10 g/mol
Exact Mass784.17
IUPAC Name3-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
SMILESCOc1nccn2c(Br)cnc12.COc1nccn2c(C3CC3)cnc12.Clc1nccn2c(C3CC3)cnc12.O=c1[nH]ccn2c(C3CC3)cnc12
InChIInChI=1S/C10H11N3O.C9H8ClN3.C9H9N3O.C7H6BrN3O/c1-14-10-9-12-6-8(7-2-3-7)13(9)5-4-11-10;10-8-9-12-5-7(6-1-2-6)13(9)4-3-11-8;13-9-8-11-5-7(6-1-2-6)12(8)4-3-10-9;1-12-7-6-10-4-5(8)11(6)3-2-9-7/h4-7H,2-3H2,1H3;3-6H,1-2H2;3-6H,1-2H2,(H,10,13);2-4H,1H3
InChIKeyLZADSAQZHKUGAI-UHFFFAOYSA-N
XLogP6.28
TPSA159.19 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500786.10
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1nccn2c(Br)cnc12.COc1nccn2c(C3CC3)cnc12.Clc1nccn2c(C3CC3)cnc12.O=c1[nH]ccn2c(C3CC3)cnc12.
What is the InChIKey of 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?
The InChIKey is LZADSAQZHKUGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.C9H8ClN3.C9H9N3O.C7H6BrN3O/c1-14-10-9-12-6-8(7-2-3-7)13(9)5-4-11-10;10-8-9-12-5-7(6-1-2-6)13(9)4-3-11-8;13-9-8-11-5-7(6-1-2-6)12(8)4-3-10-9;1-12-7-6-10-4-5(8)11(6)3-2-9-7/h4-7H,2-3H2,1H3;3-6H,1-2H2;3-6H,1-2H2,(H,10,13);2-4H,1H3.
What are the key properties of 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?
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 has a molecular weight of 786.10 g/mol, XLogP of 6.28, 5 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-cyclopropylimidazo[1,2-a]pyrazine;3-cyclopropyl-7H-imidazo[1,2-a]pyrazin-8-one;3-cyclopropyl-8-methoxyimidazo[1,2-a]pyrazine is sourced from PubChem (CID 159497987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).