N-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine

C13H16BrN3 — CID 117246995

IUPACN-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine
SMILESCc1ccn2c(Br)nc(CNC3CCC3)c2c1
InChIInChI=1S/C13H16BrN3/c1-9-5-6-17-12(7-9)11(16-13(17)14)8-15-10-3-2-4-10/h5-7,10,15H,2-4,8H2,1H3
InChIKeyFZJKXWPCXBXWGV-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.05
Rot. Bonds3

About N-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine

N-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine (PubChem CID 117246995) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is N-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine
PubChem CID117246995
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC NameN-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine
SMILESCc1ccn2c(Br)nc(CNC3CCC3)c2c1
InChIInChI=1S/C13H16BrN3/c1-9-5-6-17-12(7-9)11(16-13(17)14)8-15-10-3-2-4-10/h5-7,10,15H,2-4,8H2,1H3
InChIKeyFZJKXWPCXBXWGV-UHFFFAOYSA-N
XLogP3.05
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromoimidazo[1,5-a]pyridin-1-yl)methyl]cyclopentanamine
CID 117246996
N-[(3-ethyl-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]ethanamine
CID 112552362
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
1-[(cyclobutylamino)methyl]imidazo[1,5-a]pyridine-3-carboxylic acid
CID 115144695
2-[(cyclobutylamino)methyl]-6-methylpyridin-3-ol
CID 78950424
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754
N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine
CID 117185629
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine
CID 82495021
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
3-chloro-7-methyl-1-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine
CID 117247047
2-(3,7-dimethylimidazo[1,5-a]pyridin-1-yl)-N-methylethanamine
CID 83832292

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine (CID 117246995) is N-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine is Cc1ccn2c(Br)nc(CNC3CCC3)c2c1.
What is the InChIKey of N-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine?
The InChIKey is FZJKXWPCXBXWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-5-6-17-12(7-9)11(16-13(17)14)8-15-10-3-2-4-10/h5-7,10,15H,2-4,8H2,1H3.
What are the key properties of N-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine?
N-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine has a molecular weight of 294.20 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-7-methylimidazo[1,5-a]pyridin-1-yl)methyl]cyclobutanamine is sourced from PubChem (CID 117246995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).