N-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline

C16H16BrN3 — CID 84608825

IUPACN-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2nc(Br)c3ccccn23)c1
InChIInChI=1S/C16H16BrN3/c1-11-6-7-12(2)13(9-11)18-10-15-19-16(17)14-5-3-4-8-20(14)15/h3-9,18H,10H2,1-2H3
InChIKeyYWQOHFAPRDMVPP-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.33
Rot. Bonds3

About N-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline

N-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline (PubChem CID 84608825) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is N-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline
PubChem CID84608825
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC NameN-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NCc2nc(Br)c3ccccn23)c1
InChIInChI=1S/C16H16BrN3/c1-11-6-7-12(2)13(9-11)18-10-15-19-16(17)14-5-3-4-8-20(14)15/h3-9,18H,10H2,1-2H3
InChIKeyYWQOHFAPRDMVPP-UHFFFAOYSA-N
XLogP4.33
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline?
The IUPAC name of N-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline (CID 84608825) is N-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline?
The canonical SMILES for N-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline is Cc1ccc(C)c(NCc2nc(Br)c3ccccn23)c1.
What is the InChIKey of N-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline?
The InChIKey is YWQOHFAPRDMVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-11-6-7-12(2)13(9-11)18-10-15-19-16(17)14-5-3-4-8-20(14)15/h3-9,18H,10H2,1-2H3.
What are the key properties of N-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline?
N-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline has a molecular weight of 330.23 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-bromoimidazo[1,5-a]pyridin-3-yl)methyl]-2,5-dimethylaniline is sourced from PubChem (CID 84608825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).