6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine

C13H12BrN3O — CID 79729064

IUPAC6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nc3cc(C)c(Br)cn3c2N)o1
InChIInChI=1S/C13H12BrN3O/c1-7-5-11-16-12(10-4-3-8(2)18-10)13(15)17(11)6-9(7)14/h3-6H,15H2,1-2H3
InChIKeyXNIJEQDLXKKNAI-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.56
Rot. Bonds1

About 6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine

6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 79729064) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID79729064
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nc3cc(C)c(Br)cn3c2N)o1
InChIInChI=1S/C13H12BrN3O/c1-7-5-11-16-12(10-4-3-8(2)18-10)13(15)17(11)6-9(7)14/h3-6H,15H2,1-2H3
InChIKeyXNIJEQDLXKKNAI-UHFFFAOYSA-N
XLogP3.56
TPSA56.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 79729064) is 6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1ccc(-c2nc3cc(C)c(Br)cn3c2N)o1.
What is the InChIKey of 6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is XNIJEQDLXKKNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-7-5-11-16-12(10-4-3-8(2)18-10)13(15)17(11)6-9(7)14/h3-6H,15H2,1-2H3.
What are the key properties of 6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 306.16 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 79729064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).