3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide

C14H12BrN5O — CID 79165688

IUPAC3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2cnc3cnc(Br)cn23)c1
InChIInChI=1S/C14H12BrN5O/c15-12-8-20-11(6-19-13(20)7-18-12)5-17-10-3-1-2-9(4-10)14(16)21/h1-4,6-8,17H,5H2,(H2,16,21)
InChIKeyHRNWRUQTZAALIO-UHFFFAOYSA-N
MW346.19 g/mol
LogP2.20
Rot. Bonds4

About 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide

3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide (PubChem CID 79165688) has the molecular formula C14H12BrN5O and a molecular weight of 346.19 g/mol. Its IUPAC name is 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide
PubChem CID79165688
Molecular FormulaC14H12BrN5O
Molecular Weight346.19 g/mol
Exact Mass345.02
IUPAC Name3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2cnc3cnc(Br)cn23)c1
InChIInChI=1S/C14H12BrN5O/c15-12-8-20-11(6-19-13(20)7-18-12)5-17-10-3-1-2-9(4-10)14(16)21/h1-4,6-8,17H,5H2,(H2,16,21)
InChIKeyHRNWRUQTZAALIO-UHFFFAOYSA-N
XLogP2.20
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide
CID 79165909
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline
CID 79164556
methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate
CID 79165276
2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol
CID 114331591
4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline
CID 79177055
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline
CID 79175921
2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid
CID 84708657
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline
CID 79175722
3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757929
3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide
CID 28564635
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1H-indazol-7-amine
CID 79165280
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide?
The IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide (CID 79165688) is 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide.
What is the SMILES notation for 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide?
The canonical SMILES for 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide is NC(=O)c1cccc(NCc2cnc3cnc(Br)cn23)c1.
What is the InChIKey of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide?
The InChIKey is HRNWRUQTZAALIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O/c15-12-8-20-11(6-19-13(20)7-18-12)5-17-10-3-1-2-9(4-10)14(16)21/h1-4,6-8,17H,5H2,(H2,16,21).
What are the key properties of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide?
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide has a molecular weight of 346.19 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide is sourced from PubChem (CID 79165688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).