3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine

C31H22Br2ClN7O2S — CID 157134344

IUPAC3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
SMILESCS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)cn3c(Br)cnc23)cc1.Clc1nc(-c2ccccc2)cn2c(Br)cnc12
InChIInChI=1S/C19H15BrN4O2S.C12H7BrClN3/c1-27(25,26)15-9-7-14(8-10-15)22-18-19-21-11-17(20)24(19)12-16(23-18)13-5-3-2-4-6-13;13-10-6-15-12-11(14)16-9(7-17(10)12)8-4-2-1-3-5-8/h2-12H,1H3,(H,22,23);1-7H
InChIKeyAJLGRXVQXWYLAW-UHFFFAOYSA-N
MW751.89 g/mol
LogP8.12
Rot. Bonds5

About 3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine

3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 157134344) has the molecular formula C31H22Br2ClN7O2S and a molecular weight of 751.89 g/mol. Its IUPAC name is 3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
PubChem CID157134344
Molecular FormulaC31H22Br2ClN7O2S
Molecular Weight751.89 g/mol
Exact Mass748.96
IUPAC Name3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
SMILESCS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)cn3c(Br)cnc23)cc1.Clc1nc(-c2ccccc2)cn2c(Br)cnc12
InChIInChI=1S/C19H15BrN4O2S.C12H7BrClN3/c1-27(25,26)15-9-7-14(8-10-15)22-18-19-21-11-17(20)24(19)12-16(23-18)13-5-3-2-4-6-13;13-10-6-15-12-11(14)16-9(7-17(10)12)8-4-2-1-3-5-8/h2-12H,1H3,(H,22,23);1-7H
InChIKeyAJLGRXVQXWYLAW-UHFFFAOYSA-N
XLogP8.12
TPSA106.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.89
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine (CID 157134344) is 3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine is CS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)cn3c(Br)cnc23)cc1.Clc1nc(-c2ccccc2)cn2c(Br)cnc12.
What is the InChIKey of 3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is AJLGRXVQXWYLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2S.C12H7BrClN3/c1-27(25,26)15-9-7-14(8-10-15)22-18-19-21-11-17(20)24(19)12-16(23-18)13-5-3-2-4-6-13;13-10-6-15-12-11(14)16-9(7-17(10)12)8-4-2-1-3-5-8/h2-12H,1H3,(H,22,23);1-7H.
What are the key properties of 3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine?
3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 751.89 g/mol, XLogP of 8.12, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-chloro-6-phenylimidazo[1,2-a]pyrazine;3-bromo-N-(4-methylsulfonylphenyl)-6-phenylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 157134344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).