N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide

C19H14BrN5O — CID 127025006

IUPACN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide
SMILESNc1nccn2c(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)cnc12
InChIInChI=1S/C19H14BrN5O/c20-14-6-4-12(5-7-14)19(26)24-15-3-1-2-13(10-15)16-11-23-18-17(21)22-8-9-25(16)18/h1-11H,(H2,21,22)(H,24,26)
InChIKeyAKXJGLJSLIWWEW-UHFFFAOYSA-N
MW408.26 g/mol
LogP3.99
Rot. Bonds3

About N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide

N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide (PubChem CID 127025006) has the molecular formula C19H14BrN5O and a molecular weight of 408.26 g/mol. Its IUPAC name is N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide
PubChem CID127025006
Molecular FormulaC19H14BrN5O
Molecular Weight408.26 g/mol
Exact Mass407.04
IUPAC NameN-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide
SMILESNc1nccn2c(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)cnc12
InChIInChI=1S/C19H14BrN5O/c20-14-6-4-12(5-7-14)19(26)24-15-3-1-2-13(10-15)16-11-23-18-17(21)22-8-9-25(16)18/h1-11H,(H2,21,22)(H,24,26)
InChIKeyAKXJGLJSLIWWEW-UHFFFAOYSA-N
XLogP3.99
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide?
The IUPAC name of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide (CID 127025006) is N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide.
What is the SMILES notation for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide?
The canonical SMILES for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide is Nc1nccn2c(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)cnc12.
What is the InChIKey of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide?
The InChIKey is AKXJGLJSLIWWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O/c20-14-6-4-12(5-7-14)19(26)24-15-3-1-2-13(10-15)16-11-23-18-17(21)22-8-9-25(16)18/h1-11H,(H2,21,22)(H,24,26).
What are the key properties of N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide?
N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide has a molecular weight of 408.26 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-aminoimidazo[1,2-a]pyrazin-3-yl)phenyl]-4-bromobenzamide is sourced from PubChem (CID 127025006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).